USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 916 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 GLN : amide:sc= -1.84 K(o=-1.8,f=-4.1!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 ASN : amide:sc= -0.0709 K(o=-4,f=-4.8) USER MOD Set 2.2: A 23 ASN : amide:sc= -2.36! C(o=-4!,f=-9.8!) USER MOD Set 2.3: A 57 HIS : no HE2:sc= -1.61 K(o=-4,f=-7.1!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 152:sc= -0.0184 (180deg=-0.727) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 14 HIS : no HE2:sc= -0.385 K(o=-0.38,f=-1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 22:sc= 0.299 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc=-0.00553 (180deg=-0.221) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -29:sc= -1.8 USER MOD Single : A 50 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0793 USER MOD Single : A 59 GLN : amide:sc= -4.27! X(o=-4.3!,f=-3.8) USER MOD Single : A 63 ASN : amide:sc= -2.63 X(o=-2.6,f=-2.2) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 113:sc= -0.445 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot 101:sc= -1.21 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.563 X(o=-0.56,f=-0.13) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN :FLIP amide:sc= -1.37! F(o=-2.1,f=-1.4!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 74:sc= 0.177 USER MOD Single : A 98 SER OG : rot -31:sc= 0.0767 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.73) USER MOD Single : A 105 MET CE :methyl 162:sc= -1.43 (180deg=-2.41) USER MOD Single : A 107 CYS SG : rot 28:sc= 0.301 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 37.846 6.569 10.991 1.00 63.31 N ATOM 2 CA PRO A 2 36.929 5.731 11.769 1.00 72.11 C ATOM 3 C PRO A 2 36.169 4.738 10.896 1.00 50.10 C ATOM 4 O PRO A 2 36.160 4.854 9.671 1.00 45.15 O ATOM 5 CB PRO A 2 35.964 6.744 12.391 1.00 62.15 C ATOM 6 CG PRO A 2 35.997 7.914 11.469 1.00 64.33 C ATOM 7 CD PRO A 2 37.396 7.969 10.920 1.00 5.12 C ATOM 0 HA PRO A 2 37.457 5.120 12.501 1.00 72.11 H new ATOM 0 HB2 PRO A 2 34.958 6.333 12.473 1.00 62.15 H new ATOM 0 HB3 PRO A 2 36.278 7.024 13.397 1.00 62.15 H new ATOM 0 HG2 PRO A 2 35.267 7.800 10.667 1.00 64.33 H new ATOM 0 HG3 PRO A 2 35.749 8.834 11.997 1.00 64.33 H new ATOM 0 HD2 PRO A 2 37.412 8.345 9.897 1.00 5.12 H new ATOM 0 HD3 PRO A 2 38.034 8.626 11.511 1.00 5.12 H new ATOM 15 N SER A 3 35.531 3.762 11.535 1.00 44.31 N ATOM 16 CA SER A 3 34.771 2.747 10.816 1.00 61.12 C ATOM 17 C SER A 3 33.460 2.440 11.534 1.00 64.32 C ATOM 18 O SER A 3 33.130 3.063 12.543 1.00 42.43 O ATOM 19 CB SER A 3 35.598 1.468 10.670 1.00 20.04 C ATOM 20 OG SER A 3 36.045 1.004 11.932 1.00 23.34 O ATOM 0 H SER A 3 35.526 3.653 12.549 1.00 44.31 H new ATOM 0 HA SER A 3 34.540 3.136 9.824 1.00 61.12 H new ATOM 0 HB2 SER A 3 34.999 0.697 10.187 1.00 20.04 H new ATOM 0 HB3 SER A 3 36.455 1.657 10.024 1.00 20.04 H new ATOM 0 HG SER A 3 36.570 0.185 11.812 1.00 23.34 H new ATOM 26 N LYS A 4 32.717 1.474 11.006 1.00 35.51 N ATOM 27 CA LYS A 4 31.442 1.080 11.595 1.00 11.40 C ATOM 28 C LYS A 4 30.819 -0.077 10.821 1.00 54.43 C ATOM 29 O LYS A 4 30.458 0.067 9.652 1.00 4.22 O ATOM 30 CB LYS A 4 30.479 2.270 11.619 1.00 61.44 C ATOM 31 CG LYS A 4 30.360 2.983 10.283 1.00 63.43 C ATOM 32 CD LYS A 4 30.937 4.387 10.347 1.00 61.23 C ATOM 33 CE LYS A 4 31.539 4.803 9.014 1.00 44.34 C ATOM 34 NZ LYS A 4 32.897 5.392 9.178 1.00 2.31 N ATOM 0 H LYS A 4 32.976 0.949 10.171 1.00 35.51 H new ATOM 0 HA LYS A 4 31.629 0.751 12.617 1.00 11.40 H new ATOM 0 HB2 LYS A 4 29.492 1.922 11.925 1.00 61.44 H new ATOM 0 HB3 LYS A 4 30.814 2.982 12.373 1.00 61.44 H new ATOM 0 HG2 LYS A 4 30.880 2.409 9.516 1.00 63.43 H new ATOM 0 HG3 LYS A 4 29.312 3.032 9.988 1.00 63.43 H new ATOM 0 HD2 LYS A 4 30.154 5.091 10.629 1.00 61.23 H new ATOM 0 HD3 LYS A 4 31.701 4.432 11.123 1.00 61.23 H new ATOM 0 HE2 LYS A 4 31.596 3.937 8.355 1.00 44.34 H new ATOM 0 HE3 LYS A 4 30.885 5.528 8.531 1.00 44.34 H new ATOM 0 HZ1 LYS A 4 33.453 5.229 8.314 1.00 2.31 H new ATOM 0 HZ2 LYS A 4 32.814 6.415 9.348 1.00 2.31 H new ATOM 0 HZ3 LYS A 4 33.374 4.944 9.986 1.00 2.31 H new ATOM 48 N LYS A 5 30.693 -1.224 11.479 1.00 13.44 N ATOM 49 CA LYS A 5 30.110 -2.405 10.855 1.00 62.33 C ATOM 50 C LYS A 5 28.799 -2.789 11.533 1.00 23.44 C ATOM 51 O LYS A 5 28.691 -2.755 12.758 1.00 32.33 O ATOM 52 CB LYS A 5 31.092 -3.577 10.918 1.00 22.40 C ATOM 53 CG LYS A 5 31.770 -3.875 9.592 1.00 62.31 C ATOM 54 CD LYS A 5 32.575 -5.163 9.654 1.00 42.51 C ATOM 55 CE LYS A 5 33.915 -5.016 8.950 1.00 63.34 C ATOM 56 NZ LYS A 5 35.044 -4.929 9.917 1.00 11.33 N ATOM 0 H LYS A 5 30.987 -1.361 12.446 1.00 13.44 H new ATOM 0 HA LYS A 5 29.902 -2.168 9.812 1.00 62.33 H new ATOM 0 HB2 LYS A 5 31.855 -3.361 11.666 1.00 22.40 H new ATOM 0 HB3 LYS A 5 30.560 -4.468 11.253 1.00 22.40 H new ATOM 0 HG2 LYS A 5 31.018 -3.953 8.807 1.00 62.31 H new ATOM 0 HG3 LYS A 5 32.426 -3.047 9.324 1.00 62.31 H new ATOM 0 HD2 LYS A 5 32.738 -5.442 10.695 1.00 42.51 H new ATOM 0 HD3 LYS A 5 32.007 -5.971 9.193 1.00 42.51 H new ATOM 0 HE2 LYS A 5 34.071 -5.866 8.285 1.00 63.34 H new ATOM 0 HE3 LYS A 5 33.901 -4.122 8.327 1.00 63.34 H new ATOM 0 HZ1 LYS A 5 35.939 -4.830 9.397 1.00 11.33 H new ATOM 0 HZ2 LYS A 5 34.909 -4.104 10.535 1.00 11.33 H new ATOM 0 HZ3 LYS A 5 35.073 -5.793 10.495 1.00 11.33 H new ATOM 70 N ASN A 6 27.807 -3.156 10.729 1.00 11.00 N ATOM 71 CA ASN A 6 26.503 -3.548 11.253 1.00 44.51 C ATOM 72 C ASN A 6 25.909 -4.690 10.434 1.00 11.44 C ATOM 73 O ASN A 6 26.576 -5.265 9.576 1.00 41.35 O ATOM 74 CB ASN A 6 25.549 -2.352 11.249 1.00 12.21 C ATOM 75 CG ASN A 6 24.975 -2.066 12.623 1.00 1.35 C ATOM 76 OD1 ASN A 6 24.298 -2.908 13.214 1.00 65.05 O ATOM 77 ND2 ASN A 6 25.244 -0.872 13.140 1.00 54.03 N ATOM 0 H ASN A 6 27.881 -3.190 9.712 1.00 11.00 H new ATOM 0 HA ASN A 6 26.639 -3.892 12.278 1.00 44.51 H new ATOM 0 HB2 ASN A 6 26.078 -1.470 10.888 1.00 12.21 H new ATOM 0 HB3 ASN A 6 24.734 -2.543 10.550 1.00 12.21 H new ATOM 0 HD21 ASN A 6 24.885 -0.623 14.062 1.00 54.03 H new ATOM 0 HD22 ASN A 6 25.809 -0.205 12.615 1.00 54.03 H new ATOM 84 N GLY A 7 24.648 -5.012 10.707 1.00 21.42 N ATOM 85 CA GLY A 7 23.984 -6.084 9.988 1.00 43.34 C ATOM 86 C GLY A 7 23.355 -5.609 8.693 1.00 61.43 C ATOM 87 O GLY A 7 22.482 -4.742 8.700 1.00 12.24 O ATOM 0 H GLY A 7 24.075 -4.550 11.413 1.00 21.42 H new ATOM 0 HA2 GLY A 7 24.704 -6.873 9.771 1.00 43.34 H new ATOM 0 HA3 GLY A 7 23.214 -6.522 10.624 1.00 43.34 H new ATOM 91 N ARG A 8 23.800 -6.178 7.577 1.00 24.31 N ATOM 92 CA ARG A 8 23.277 -5.806 6.268 1.00 30.23 C ATOM 93 C ARG A 8 22.527 -6.972 5.631 1.00 31.31 C ATOM 94 O ARG A 8 23.107 -8.025 5.365 1.00 34.11 O ATOM 95 CB ARG A 8 24.414 -5.355 5.350 1.00 3.21 C ATOM 96 CG ARG A 8 24.088 -4.108 4.544 1.00 20.20 C ATOM 97 CD ARG A 8 25.277 -3.656 3.711 1.00 23.21 C ATOM 98 NE ARG A 8 26.018 -2.576 4.356 1.00 4.33 N ATOM 99 CZ ARG A 8 26.942 -1.847 3.739 1.00 73.11 C ATOM 100 NH1 ARG A 8 27.235 -2.082 2.467 1.00 3.25 N ATOM 101 NH2 ARG A 8 27.573 -0.881 4.393 1.00 0.25 N ATOM 0 H ARG A 8 24.522 -6.898 7.553 1.00 24.31 H new ATOM 0 HA ARG A 8 22.580 -4.979 6.405 1.00 30.23 H new ATOM 0 HB2 ARG A 8 25.303 -5.166 5.952 1.00 3.21 H new ATOM 0 HB3 ARG A 8 24.660 -6.166 4.665 1.00 3.21 H new ATOM 0 HG2 ARG A 8 23.239 -4.308 3.890 1.00 20.20 H new ATOM 0 HG3 ARG A 8 23.789 -3.306 5.218 1.00 20.20 H new ATOM 0 HD2 ARG A 8 25.943 -4.502 3.541 1.00 23.21 H new ATOM 0 HD3 ARG A 8 24.929 -3.323 2.733 1.00 23.21 H new ATOM 0 HE ARG A 8 25.815 -2.370 5.334 1.00 4.33 H new ATOM 0 HH11 ARG A 8 26.751 -2.823 1.961 1.00 3.25 H new ATOM 0 HH12 ARG A 8 27.945 -1.521 1.995 1.00 3.25 H new ATOM 0 HH21 ARG A 8 27.349 -0.697 5.371 1.00 0.25 H new ATOM 0 HH22 ARG A 8 28.282 -0.322 3.918 1.00 0.25 H new ATOM 115 N SER A 9 21.235 -6.777 5.390 1.00 55.33 N ATOM 116 CA SER A 9 20.404 -7.813 4.788 1.00 71.21 C ATOM 117 C SER A 9 19.887 -7.371 3.422 1.00 2.43 C ATOM 118 O SER A 9 19.964 -6.195 3.068 1.00 13.14 O ATOM 119 CB SER A 9 19.228 -8.151 5.706 1.00 14.31 C ATOM 120 OG SER A 9 19.612 -9.077 6.707 1.00 34.03 O ATOM 0 H SER A 9 20.740 -5.911 5.602 1.00 55.33 H new ATOM 0 HA SER A 9 21.018 -8.703 4.653 1.00 71.21 H new ATOM 0 HB2 SER A 9 18.854 -7.240 6.173 1.00 14.31 H new ATOM 0 HB3 SER A 9 18.410 -8.566 5.117 1.00 14.31 H new ATOM 0 HG SER A 9 18.843 -9.275 7.282 1.00 34.03 H new ATOM 126 N GLY A 10 19.360 -8.323 2.659 1.00 63.14 N ATOM 127 CA GLY A 10 18.839 -8.013 1.340 1.00 34.14 C ATOM 128 C GLY A 10 17.588 -7.159 1.398 1.00 12.21 C ATOM 129 O GLY A 10 17.598 -5.981 1.041 1.00 10.54 O ATOM 0 H GLY A 10 19.284 -9.303 2.930 1.00 63.14 H new ATOM 0 HA2 GLY A 10 19.604 -7.493 0.763 1.00 34.14 H new ATOM 0 HA3 GLY A 10 18.618 -8.941 0.813 1.00 34.14 H new ATOM 133 N PRO A 11 16.478 -7.758 1.855 1.00 0.33 N ATOM 134 CA PRO A 11 15.192 -7.062 1.968 1.00 25.30 C ATOM 135 C PRO A 11 15.197 -6.010 3.072 1.00 63.13 C ATOM 136 O PRO A 11 15.522 -6.306 4.221 1.00 14.13 O ATOM 137 CB PRO A 11 14.210 -8.186 2.305 1.00 34.41 C ATOM 138 CG PRO A 11 15.043 -9.236 2.956 1.00 40.21 C ATOM 139 CD PRO A 11 16.393 -9.160 2.298 1.00 50.51 C ATOM 0 HA PRO A 11 14.942 -6.517 1.058 1.00 25.30 H new ATOM 0 HB2 PRO A 11 13.422 -7.836 2.972 1.00 34.41 H new ATOM 0 HB3 PRO A 11 13.722 -8.568 1.408 1.00 34.41 H new ATOM 0 HG2 PRO A 11 15.122 -9.062 4.029 1.00 40.21 H new ATOM 0 HG3 PRO A 11 14.600 -10.223 2.825 1.00 40.21 H new ATOM 0 HD2 PRO A 11 17.194 -9.411 2.994 1.00 50.51 H new ATOM 0 HD3 PRO A 11 16.471 -9.852 1.459 1.00 50.51 H new ATOM 147 N GLN A 12 14.835 -4.782 2.714 1.00 64.31 N ATOM 148 CA GLN A 12 14.799 -3.687 3.675 1.00 12.33 C ATOM 149 C GLN A 12 13.453 -2.971 3.634 1.00 35.23 C ATOM 150 O GLN A 12 12.699 -3.070 2.666 1.00 73.12 O ATOM 151 CB GLN A 12 15.927 -2.693 3.391 1.00 34.14 C ATOM 152 CG GLN A 12 17.153 -2.898 4.266 1.00 32.33 C ATOM 153 CD GLN A 12 18.439 -2.500 3.571 1.00 44.15 C ATOM 154 OE1 GLN A 12 18.849 -3.125 2.592 1.00 31.21 O ATOM 155 NE2 GLN A 12 19.085 -1.454 4.073 1.00 51.32 N ATOM 0 H GLN A 12 14.563 -4.521 1.766 1.00 64.31 H new ATOM 0 HA GLN A 12 14.937 -4.107 4.671 1.00 12.33 H new ATOM 0 HB2 GLN A 12 16.220 -2.778 2.344 1.00 34.14 H new ATOM 0 HB3 GLN A 12 15.552 -1.680 3.536 1.00 34.14 H new ATOM 0 HG2 GLN A 12 17.043 -2.315 5.181 1.00 32.33 H new ATOM 0 HG3 GLN A 12 17.213 -3.946 4.561 1.00 32.33 H new ATOM 0 HE21 GLN A 12 18.710 -0.965 4.886 1.00 51.32 H new ATOM 0 HE22 GLN A 12 19.956 -1.140 3.646 1.00 51.32 H new ATOM 164 N PRO A 13 13.141 -2.233 4.710 1.00 41.11 N ATOM 165 CA PRO A 13 11.885 -1.486 4.821 1.00 75.23 C ATOM 166 C PRO A 13 11.831 -0.297 3.867 1.00 33.35 C ATOM 167 O PRO A 13 12.859 0.296 3.540 1.00 62.54 O ATOM 168 CB PRO A 13 11.884 -1.007 6.274 1.00 11.44 C ATOM 169 CG PRO A 13 13.323 -0.956 6.657 1.00 12.11 C ATOM 170 CD PRO A 13 13.992 -2.070 5.901 1.00 40.14 C ATOM 0 HA PRO A 13 11.022 -2.099 4.560 1.00 75.23 H new ATOM 0 HB2 PRO A 13 11.414 -0.028 6.368 1.00 11.44 H new ATOM 0 HB3 PRO A 13 11.327 -1.690 6.916 1.00 11.44 H new ATOM 0 HG2 PRO A 13 13.761 0.008 6.400 1.00 12.11 H new ATOM 0 HG3 PRO A 13 13.446 -1.085 7.732 1.00 12.11 H new ATOM 0 HD2 PRO A 13 15.016 -1.814 5.631 1.00 40.14 H new ATOM 0 HD3 PRO A 13 14.037 -2.985 6.491 1.00 40.14 H new ATOM 178 N HIS A 14 10.625 0.047 3.426 1.00 42.23 N ATOM 179 CA HIS A 14 10.438 1.167 2.510 1.00 13.11 C ATOM 180 C HIS A 14 9.222 1.997 2.909 1.00 14.43 C ATOM 181 O HIS A 14 8.522 1.672 3.869 1.00 60.01 O ATOM 182 CB HIS A 14 10.275 0.660 1.077 1.00 64.11 C ATOM 183 CG HIS A 14 11.511 0.018 0.525 1.00 0.21 C ATOM 184 ND1 HIS A 14 11.791 -1.324 0.671 1.00 5.01 N ATOM 185 CD2 HIS A 14 12.542 0.542 -0.178 1.00 3.22 C ATOM 186 CE1 HIS A 14 12.943 -1.597 0.084 1.00 74.55 C ATOM 187 NE2 HIS A 14 13.419 -0.482 -0.440 1.00 34.12 N ATOM 0 H HIS A 14 9.764 -0.433 3.688 1.00 42.23 H new ATOM 0 HA HIS A 14 11.323 1.801 2.565 1.00 13.11 H new ATOM 0 HB2 HIS A 14 9.457 -0.059 1.046 1.00 64.11 H new ATOM 0 HB3 HIS A 14 9.991 1.494 0.435 1.00 64.11 H new ATOM 0 HD1 HIS A 14 11.201 -2.000 1.156 1.00 5.01 H new ATOM 0 HD2 HIS A 14 12.654 1.574 -0.477 1.00 3.22 H new ATOM 0 HE1 HIS A 14 13.415 -2.567 0.040 1.00 74.55 H new ATOM 195 N LYS A 15 8.975 3.072 2.167 1.00 25.25 N ATOM 196 CA LYS A 15 7.844 3.949 2.443 1.00 40.44 C ATOM 197 C LYS A 15 6.713 3.708 1.448 1.00 63.52 C ATOM 198 O LYS A 15 5.815 4.536 1.301 1.00 11.45 O ATOM 199 CB LYS A 15 8.283 5.414 2.386 1.00 51.42 C ATOM 200 CG LYS A 15 9.074 5.765 1.137 1.00 33.53 C ATOM 201 CD LYS A 15 10.506 6.146 1.473 1.00 53.11 C ATOM 202 CE LYS A 15 11.236 6.696 0.257 1.00 73.30 C ATOM 203 NZ LYS A 15 12.257 7.711 0.635 1.00 11.33 N ATOM 0 H LYS A 15 9.544 3.356 1.369 1.00 25.25 H new ATOM 0 HA LYS A 15 7.478 3.724 3.445 1.00 40.44 H new ATOM 0 HB2 LYS A 15 7.400 6.051 2.438 1.00 51.42 H new ATOM 0 HB3 LYS A 15 8.889 5.637 3.264 1.00 51.42 H new ATOM 0 HG2 LYS A 15 9.073 4.916 0.454 1.00 33.53 H new ATOM 0 HG3 LYS A 15 8.589 6.592 0.618 1.00 33.53 H new ATOM 0 HD2 LYS A 15 10.508 6.892 2.268 1.00 53.11 H new ATOM 0 HD3 LYS A 15 11.036 5.273 1.853 1.00 53.11 H new ATOM 0 HE2 LYS A 15 11.718 5.878 -0.278 1.00 73.30 H new ATOM 0 HE3 LYS A 15 10.515 7.143 -0.428 1.00 73.30 H new ATOM 0 HZ1 LYS A 15 12.732 8.061 -0.221 1.00 11.33 H new ATOM 0 HZ2 LYS A 15 11.794 8.504 1.123 1.00 11.33 H new ATOM 0 HZ3 LYS A 15 12.959 7.278 1.268 1.00 11.33 H new ATOM 217 N ARG A 16 6.764 2.567 0.768 1.00 74.14 N ATOM 218 CA ARG A 16 5.743 2.216 -0.213 1.00 2.50 C ATOM 219 C ARG A 16 5.383 0.737 -0.118 1.00 30.24 C ATOM 220 O ARG A 16 6.251 -0.131 -0.217 1.00 55.13 O ATOM 221 CB ARG A 16 6.230 2.544 -1.626 1.00 35.01 C ATOM 222 CG ARG A 16 6.635 3.997 -1.809 1.00 0.31 C ATOM 223 CD ARG A 16 7.507 4.182 -3.041 1.00 73.43 C ATOM 224 NE ARG A 16 8.377 5.349 -2.926 1.00 62.55 N ATOM 225 CZ ARG A 16 9.024 5.887 -3.954 1.00 64.52 C ATOM 226 NH1 ARG A 16 8.899 5.365 -5.167 1.00 4.41 N ATOM 227 NH2 ARG A 16 9.798 6.949 -3.770 1.00 24.50 N ATOM 0 H ARG A 16 7.501 1.870 0.878 1.00 74.14 H new ATOM 0 HA ARG A 16 4.850 2.803 0.002 1.00 2.50 H new ATOM 0 HB2 ARG A 16 7.081 1.906 -1.865 1.00 35.01 H new ATOM 0 HB3 ARG A 16 5.441 2.303 -2.338 1.00 35.01 H new ATOM 0 HG2 ARG A 16 5.742 4.616 -1.898 1.00 0.31 H new ATOM 0 HG3 ARG A 16 7.174 4.339 -0.926 1.00 0.31 H new ATOM 0 HD2 ARG A 16 8.115 3.290 -3.192 1.00 73.43 H new ATOM 0 HD3 ARG A 16 6.873 4.288 -3.921 1.00 73.43 H new ATOM 0 HE ARG A 16 8.494 5.774 -2.006 1.00 62.55 H new ATOM 0 HH11 ARG A 16 8.305 4.549 -5.312 1.00 4.41 H new ATOM 0 HH12 ARG A 16 9.397 5.780 -5.955 1.00 4.41 H new ATOM 0 HH21 ARG A 16 9.897 7.353 -2.839 1.00 24.50 H new ATOM 0 HH22 ARG A 16 10.294 7.361 -4.560 1.00 24.50 H new ATOM 241 N TRP A 17 4.099 0.457 0.076 1.00 3.32 N ATOM 242 CA TRP A 17 3.625 -0.917 0.186 1.00 74.54 C ATOM 243 C TRP A 17 2.202 -1.046 -0.347 1.00 33.12 C ATOM 244 O TRP A 17 1.342 -0.215 -0.055 1.00 52.33 O ATOM 245 CB TRP A 17 3.682 -1.384 1.641 1.00 31.21 C ATOM 246 CG TRP A 17 5.075 -1.646 2.126 1.00 25.34 C ATOM 247 CD1 TRP A 17 5.886 -0.777 2.800 1.00 71.43 C ATOM 248 CD2 TRP A 17 5.822 -2.858 1.974 1.00 62.40 C ATOM 249 NE1 TRP A 17 7.092 -1.376 3.075 1.00 74.31 N ATOM 250 CE2 TRP A 17 7.077 -2.653 2.580 1.00 64.33 C ATOM 251 CE3 TRP A 17 5.552 -4.097 1.387 1.00 62.32 C ATOM 252 CZ2 TRP A 17 8.058 -3.641 2.612 1.00 30.24 C ATOM 253 CZ3 TRP A 17 6.527 -5.077 1.420 1.00 54.42 C ATOM 254 CH2 TRP A 17 7.767 -4.845 2.030 1.00 54.43 C ATOM 0 H TRP A 17 3.368 1.163 0.160 1.00 3.32 H new ATOM 0 HA TRP A 17 4.278 -1.549 -0.416 1.00 74.54 H new ATOM 0 HB2 TRP A 17 3.220 -0.628 2.276 1.00 31.21 H new ATOM 0 HB3 TRP A 17 3.091 -2.294 1.747 1.00 31.21 H new ATOM 0 HD1 TRP A 17 5.619 0.232 3.076 1.00 71.43 H new ATOM 0 HE1 TRP A 17 7.872 -0.940 3.568 1.00 74.31 H new ATOM 0 HE3 TRP A 17 4.599 -4.286 0.916 1.00 62.32 H new ATOM 0 HZ2 TRP A 17 9.015 -3.463 3.080 1.00 30.24 H new ATOM 0 HZ3 TRP A 17 6.329 -6.038 0.968 1.00 54.42 H new ATOM 0 HH2 TRP A 17 8.507 -5.631 2.041 1.00 54.43 H new ATOM 265 N VAL A 18 1.959 -2.093 -1.129 1.00 23.32 N ATOM 266 CA VAL A 18 0.639 -2.331 -1.701 1.00 24.12 C ATOM 267 C VAL A 18 -0.044 -3.517 -1.031 1.00 34.45 C ATOM 268 O VAL A 18 0.607 -4.343 -0.390 1.00 1.53 O ATOM 269 CB VAL A 18 0.723 -2.590 -3.217 1.00 21.22 C ATOM 270 CG1 VAL A 18 1.369 -1.410 -3.926 1.00 4.34 C ATOM 271 CG2 VAL A 18 1.489 -3.875 -3.496 1.00 11.41 C ATOM 0 H VAL A 18 2.659 -2.790 -1.381 1.00 23.32 H new ATOM 0 HA VAL A 18 0.051 -1.430 -1.526 1.00 24.12 H new ATOM 0 HB VAL A 18 -0.289 -2.706 -3.605 1.00 21.22 H new ATOM 0 HG11 VAL A 18 1.420 -1.612 -4.996 1.00 4.34 H new ATOM 0 HG12 VAL A 18 0.775 -0.512 -3.754 1.00 4.34 H new ATOM 0 HG13 VAL A 18 2.376 -1.259 -3.537 1.00 4.34 H new ATOM 0 HG21 VAL A 18 1.539 -4.043 -4.572 1.00 11.41 H new ATOM 0 HG22 VAL A 18 2.499 -3.791 -3.095 1.00 11.41 H new ATOM 0 HG23 VAL A 18 0.979 -4.713 -3.021 1.00 11.41 H new ATOM 281 N PHE A 19 -1.362 -3.597 -1.183 1.00 31.30 N ATOM 282 CA PHE A 19 -2.136 -4.683 -0.592 1.00 3.01 C ATOM 283 C PHE A 19 -3.207 -5.177 -1.560 1.00 21.13 C ATOM 284 O PHE A 19 -3.792 -4.395 -2.310 1.00 0.34 O ATOM 285 CB PHE A 19 -2.786 -4.222 0.714 1.00 22.13 C ATOM 286 CG PHE A 19 -3.645 -3.000 0.558 1.00 61.03 C ATOM 287 CD1 PHE A 19 -3.075 -1.738 0.505 1.00 22.34 C ATOM 288 CD2 PHE A 19 -5.023 -3.113 0.463 1.00 4.03 C ATOM 289 CE1 PHE A 19 -3.862 -0.612 0.361 1.00 53.40 C ATOM 290 CE2 PHE A 19 -5.815 -1.990 0.318 1.00 32.14 C ATOM 291 CZ PHE A 19 -5.234 -0.738 0.268 1.00 15.24 C ATOM 0 H PHE A 19 -1.917 -2.923 -1.710 1.00 31.30 H new ATOM 0 HA PHE A 19 -1.455 -5.507 -0.380 1.00 3.01 H new ATOM 0 HB2 PHE A 19 -3.393 -5.034 1.115 1.00 22.13 H new ATOM 0 HB3 PHE A 19 -2.005 -4.016 1.446 1.00 22.13 H new ATOM 0 HD1 PHE A 19 -2.002 -1.634 0.577 1.00 22.34 H new ATOM 0 HD2 PHE A 19 -5.483 -4.089 0.503 1.00 4.03 H new ATOM 0 HE1 PHE A 19 -3.405 0.366 0.321 1.00 53.40 H new ATOM 0 HE2 PHE A 19 -6.888 -2.091 0.244 1.00 32.14 H new ATOM 0 HZ PHE A 19 -5.852 0.141 0.156 1.00 15.24 H new ATOM 301 N THR A 20 -3.459 -6.482 -1.538 1.00 60.32 N ATOM 302 CA THR A 20 -4.458 -7.082 -2.414 1.00 24.42 C ATOM 303 C THR A 20 -5.093 -8.307 -1.765 1.00 64.13 C ATOM 304 O THR A 20 -4.394 -9.209 -1.301 1.00 61.11 O ATOM 305 CB THR A 20 -3.845 -7.491 -3.767 1.00 35.32 C ATOM 306 OG1 THR A 20 -2.896 -8.546 -3.576 1.00 43.21 O ATOM 307 CG2 THR A 20 -3.166 -6.305 -4.434 1.00 54.12 C ATOM 0 H THR A 20 -2.985 -7.144 -0.923 1.00 60.32 H new ATOM 0 HA THR A 20 -5.225 -6.326 -2.585 1.00 24.42 H new ATOM 0 HB THR A 20 -4.649 -7.840 -4.415 1.00 35.32 H new ATOM 0 HG1 THR A 20 -3.082 -9.004 -2.730 1.00 43.21 H new ATOM 0 HG21 THR A 20 -2.741 -6.618 -5.388 1.00 54.12 H new ATOM 0 HG22 THR A 20 -3.898 -5.516 -4.605 1.00 54.12 H new ATOM 0 HG23 THR A 20 -2.372 -5.930 -3.788 1.00 54.12 H new ATOM 315 N LEU A 21 -6.420 -8.334 -1.737 1.00 15.03 N ATOM 316 CA LEU A 21 -7.151 -9.450 -1.145 1.00 44.22 C ATOM 317 C LEU A 21 -8.382 -9.797 -1.976 1.00 44.14 C ATOM 318 O LEU A 21 -9.146 -8.916 -2.369 1.00 62.50 O ATOM 319 CB LEU A 21 -7.567 -9.110 0.287 1.00 73.41 C ATOM 320 CG LEU A 21 -8.314 -10.207 1.046 1.00 33.35 C ATOM 321 CD1 LEU A 21 -7.361 -10.977 1.947 1.00 1.02 C ATOM 322 CD2 LEU A 21 -9.455 -9.611 1.859 1.00 24.51 C ATOM 0 H LEU A 21 -7.013 -7.596 -2.117 1.00 15.03 H new ATOM 0 HA LEU A 21 -6.491 -10.317 -1.129 1.00 44.22 H new ATOM 0 HB2 LEU A 21 -6.672 -8.850 0.852 1.00 73.41 H new ATOM 0 HB3 LEU A 21 -8.197 -8.221 0.260 1.00 73.41 H new ATOM 0 HG LEU A 21 -8.736 -10.902 0.320 1.00 33.35 H new ATOM 0 HD11 LEU A 21 -7.911 -11.753 2.479 1.00 1.02 H new ATOM 0 HD12 LEU A 21 -6.579 -11.436 1.342 1.00 1.02 H new ATOM 0 HD13 LEU A 21 -6.909 -10.294 2.667 1.00 1.02 H new ATOM 0 HD21 LEU A 21 -9.976 -10.406 2.393 1.00 24.51 H new ATOM 0 HD22 LEU A 21 -9.055 -8.894 2.576 1.00 24.51 H new ATOM 0 HD23 LEU A 21 -10.152 -9.105 1.191 1.00 24.51 H new ATOM 334 N ASN A 22 -8.568 -11.086 -2.239 1.00 23.52 N ATOM 335 CA ASN A 22 -9.707 -11.550 -3.022 1.00 32.40 C ATOM 336 C ASN A 22 -10.948 -11.690 -2.146 1.00 75.21 C ATOM 337 O ASN A 22 -10.881 -12.215 -1.035 1.00 42.34 O ATOM 338 CB ASN A 22 -9.384 -12.890 -3.686 1.00 74.42 C ATOM 339 CG ASN A 22 -10.588 -13.495 -4.384 1.00 3.51 C ATOM 340 OD1 ASN A 22 -11.230 -14.406 -3.861 1.00 45.21 O ATOM 341 ND2 ASN A 22 -10.899 -12.988 -5.571 1.00 62.24 N ATOM 0 H ASN A 22 -7.944 -11.828 -1.921 1.00 23.52 H new ATOM 0 HA ASN A 22 -9.911 -10.809 -3.795 1.00 32.40 H new ATOM 0 HB2 ASN A 22 -8.581 -12.750 -4.409 1.00 74.42 H new ATOM 0 HB3 ASN A 22 -9.016 -13.587 -2.932 1.00 74.42 H new ATOM 0 HD21 ASN A 22 -11.699 -13.353 -6.088 1.00 62.24 H new ATOM 0 HD22 ASN A 22 -10.338 -12.233 -5.966 1.00 62.24 H new ATOM 348 N ASN A 23 -12.082 -11.217 -2.655 1.00 65.31 N ATOM 349 CA ASN A 23 -13.339 -11.289 -1.919 1.00 63.55 C ATOM 350 C ASN A 23 -13.176 -10.732 -0.509 1.00 13.23 C ATOM 351 O ASN A 23 -13.271 -11.452 0.485 1.00 25.31 O ATOM 352 CB ASN A 23 -13.833 -12.736 -1.854 1.00 52.13 C ATOM 353 CG ASN A 23 -14.259 -13.263 -3.211 1.00 62.11 C ATOM 354 OD1 ASN A 23 -13.587 -13.035 -4.217 1.00 4.12 O ATOM 355 ND2 ASN A 23 -15.381 -13.972 -3.245 1.00 21.55 N ATOM 0 H ASN A 23 -12.156 -10.780 -3.574 1.00 65.31 H new ATOM 0 HA ASN A 23 -14.076 -10.683 -2.447 1.00 63.55 H new ATOM 0 HB2 ASN A 23 -13.042 -13.370 -1.453 1.00 52.13 H new ATOM 0 HB3 ASN A 23 -14.673 -12.800 -1.162 1.00 52.13 H new ATOM 0 HD21 ASN A 23 -15.717 -14.352 -4.130 1.00 21.55 H new ATOM 0 HD22 ASN A 23 -15.907 -14.137 -2.386 1.00 21.55 H new ATOM 362 N PRO A 24 -12.927 -9.417 -0.417 1.00 62.04 N ATOM 363 CA PRO A 24 -12.747 -8.733 0.867 1.00 52.25 C ATOM 364 C PRO A 24 -14.045 -8.641 1.661 1.00 33.22 C ATOM 365 O PRO A 24 -15.123 -8.472 1.091 1.00 61.03 O ATOM 366 CB PRO A 24 -12.269 -7.336 0.460 1.00 32.44 C ATOM 367 CG PRO A 24 -12.804 -7.139 -0.916 1.00 4.50 C ATOM 368 CD PRO A 24 -12.801 -8.497 -1.560 1.00 74.24 C ATOM 0 HA PRO A 24 -12.052 -9.264 1.518 1.00 52.25 H new ATOM 0 HB2 PRO A 24 -12.644 -6.574 1.144 1.00 32.44 H new ATOM 0 HB3 PRO A 24 -11.181 -7.270 0.475 1.00 32.44 H new ATOM 0 HG2 PRO A 24 -13.811 -6.723 -0.887 1.00 4.50 H new ATOM 0 HG3 PRO A 24 -12.186 -6.439 -1.478 1.00 4.50 H new ATOM 0 HD2 PRO A 24 -13.628 -8.611 -2.261 1.00 74.24 H new ATOM 0 HD3 PRO A 24 -11.882 -8.674 -2.119 1.00 74.24 H new ATOM 376 N SER A 25 -13.935 -8.754 2.981 1.00 11.31 N ATOM 377 CA SER A 25 -15.101 -8.687 3.854 1.00 12.20 C ATOM 378 C SER A 25 -15.419 -7.242 4.226 1.00 12.21 C ATOM 379 O SER A 25 -14.583 -6.352 4.073 1.00 63.41 O ATOM 380 CB SER A 25 -14.864 -9.511 5.121 1.00 72.22 C ATOM 381 OG SER A 25 -15.428 -10.806 5.000 1.00 44.24 O ATOM 0 H SER A 25 -13.050 -8.892 3.469 1.00 11.31 H new ATOM 0 HA SER A 25 -15.953 -9.101 3.314 1.00 12.20 H new ATOM 0 HB2 SER A 25 -13.794 -9.593 5.310 1.00 72.22 H new ATOM 0 HB3 SER A 25 -15.301 -8.999 5.979 1.00 72.22 H new ATOM 0 HG SER A 25 -15.262 -11.313 5.822 1.00 44.24 H new ATOM 387 N GLU A 26 -16.635 -7.017 4.716 1.00 44.05 N ATOM 388 CA GLU A 26 -17.064 -5.680 5.109 1.00 63.03 C ATOM 389 C GLU A 26 -16.236 -5.167 6.284 1.00 54.43 C ATOM 390 O GLU A 26 -16.028 -3.962 6.431 1.00 61.14 O ATOM 391 CB GLU A 26 -18.548 -5.685 5.480 1.00 72.32 C ATOM 392 CG GLU A 26 -19.442 -5.059 4.423 1.00 40.42 C ATOM 393 CD GLU A 26 -20.794 -5.737 4.325 1.00 34.43 C ATOM 394 OE1 GLU A 26 -21.304 -6.198 5.368 1.00 54.31 O ATOM 395 OE2 GLU A 26 -21.343 -5.808 3.205 1.00 4.13 O ATOM 0 H GLU A 26 -17.339 -7.743 4.850 1.00 44.05 H new ATOM 0 HA GLU A 26 -16.912 -5.013 4.261 1.00 63.03 H new ATOM 0 HB2 GLU A 26 -18.867 -6.713 5.651 1.00 72.32 H new ATOM 0 HB3 GLU A 26 -18.681 -5.149 6.420 1.00 72.32 H new ATOM 0 HG2 GLU A 26 -19.585 -4.003 4.653 1.00 40.42 H new ATOM 0 HG3 GLU A 26 -18.944 -5.110 3.455 1.00 40.42 H new ATOM 402 N ASP A 27 -15.768 -6.089 7.118 1.00 54.34 N ATOM 403 CA ASP A 27 -14.963 -5.731 8.280 1.00 54.33 C ATOM 404 C ASP A 27 -13.524 -5.431 7.872 1.00 13.52 C ATOM 405 O ASP A 27 -12.930 -4.456 8.332 1.00 23.54 O ATOM 406 CB ASP A 27 -14.990 -6.859 9.312 1.00 5.10 C ATOM 407 CG ASP A 27 -16.383 -7.118 9.851 1.00 64.52 C ATOM 408 OD1 ASP A 27 -17.190 -7.745 9.132 1.00 22.04 O ATOM 409 OD2 ASP A 27 -16.666 -6.696 10.991 1.00 5.21 O ATOM 0 H ASP A 27 -15.932 -7.090 7.011 1.00 54.34 H new ATOM 0 HA ASP A 27 -15.390 -4.832 8.725 1.00 54.33 H new ATOM 0 HB2 ASP A 27 -14.604 -7.772 8.858 1.00 5.10 H new ATOM 0 HB3 ASP A 27 -14.325 -6.608 10.138 1.00 5.10 H new ATOM 414 N GLU A 28 -12.971 -6.275 7.007 1.00 20.03 N ATOM 415 CA GLU A 28 -11.601 -6.100 6.540 1.00 22.21 C ATOM 416 C GLU A 28 -11.490 -4.886 5.623 1.00 65.05 C ATOM 417 O GLU A 28 -10.570 -4.078 5.754 1.00 53.32 O ATOM 418 CB GLU A 28 -11.125 -7.355 5.804 1.00 14.32 C ATOM 419 CG GLU A 28 -9.756 -7.839 6.249 1.00 22.22 C ATOM 420 CD GLU A 28 -8.652 -6.853 5.919 1.00 73.14 C ATOM 421 OE1 GLU A 28 -8.888 -5.960 5.078 1.00 61.13 O ATOM 422 OE2 GLU A 28 -7.554 -6.974 6.500 1.00 62.12 O ATOM 0 H GLU A 28 -13.450 -7.086 6.616 1.00 20.03 H new ATOM 0 HA GLU A 28 -10.966 -5.935 7.410 1.00 22.21 H new ATOM 0 HB2 GLU A 28 -11.851 -8.153 5.958 1.00 14.32 H new ATOM 0 HB3 GLU A 28 -11.098 -7.150 4.734 1.00 14.32 H new ATOM 0 HG2 GLU A 28 -9.770 -8.017 7.324 1.00 22.22 H new ATOM 0 HG3 GLU A 28 -9.540 -8.794 5.771 1.00 22.22 H new ATOM 429 N ARG A 29 -12.432 -4.766 4.693 1.00 10.33 N ATOM 430 CA ARG A 29 -12.440 -3.652 3.752 1.00 25.14 C ATOM 431 C ARG A 29 -12.642 -2.326 4.481 1.00 64.54 C ATOM 432 O ARG A 29 -12.032 -1.315 4.132 1.00 15.21 O ATOM 433 CB ARG A 29 -13.541 -3.846 2.709 1.00 40.14 C ATOM 434 CG ARG A 29 -13.651 -2.698 1.719 1.00 41.33 C ATOM 435 CD ARG A 29 -15.090 -2.231 1.565 1.00 41.23 C ATOM 436 NE ARG A 29 -15.739 -2.831 0.402 1.00 24.10 N ATOM 437 CZ ARG A 29 -16.820 -2.324 -0.180 1.00 3.13 C ATOM 438 NH1 ARG A 29 -17.370 -1.213 0.290 1.00 10.03 N ATOM 439 NH2 ARG A 29 -17.352 -2.928 -1.234 1.00 52.14 N ATOM 0 H ARG A 29 -13.200 -5.427 4.571 1.00 10.33 H new ATOM 0 HA ARG A 29 -11.473 -3.627 3.249 1.00 25.14 H new ATOM 0 HB2 ARG A 29 -13.353 -4.770 2.162 1.00 40.14 H new ATOM 0 HB3 ARG A 29 -14.496 -3.967 3.220 1.00 40.14 H new ATOM 0 HG2 ARG A 29 -13.031 -1.866 2.054 1.00 41.33 H new ATOM 0 HG3 ARG A 29 -13.264 -3.013 0.750 1.00 41.33 H new ATOM 0 HD2 ARG A 29 -15.651 -2.484 2.464 1.00 41.23 H new ATOM 0 HD3 ARG A 29 -15.111 -1.145 1.472 1.00 41.23 H new ATOM 0 HE ARG A 29 -15.340 -3.686 0.016 1.00 24.10 H new ATOM 0 HH11 ARG A 29 -16.963 -0.746 1.100 1.00 10.03 H new ATOM 0 HH12 ARG A 29 -18.200 -0.826 -0.159 1.00 10.03 H new ATOM 0 HH21 ARG A 29 -16.931 -3.783 -1.598 1.00 52.14 H new ATOM 0 HH22 ARG A 29 -18.182 -2.538 -1.680 1.00 52.14 H new ATOM 453 N LYS A 30 -13.501 -2.339 5.494 1.00 54.15 N ATOM 454 CA LYS A 30 -13.784 -1.139 6.272 1.00 34.23 C ATOM 455 C LYS A 30 -12.584 -0.751 7.129 1.00 21.15 C ATOM 456 O LYS A 30 -12.311 0.432 7.335 1.00 21.31 O ATOM 457 CB LYS A 30 -15.010 -1.361 7.162 1.00 25.22 C ATOM 458 CG LYS A 30 -15.296 -0.203 8.102 1.00 32.24 C ATOM 459 CD LYS A 30 -16.657 -0.346 8.764 1.00 44.30 C ATOM 460 CE LYS A 30 -17.786 -0.165 7.761 1.00 2.42 C ATOM 461 NZ LYS A 30 -18.826 0.776 8.261 1.00 13.14 N ATOM 0 H LYS A 30 -14.014 -3.168 5.796 1.00 54.15 H new ATOM 0 HA LYS A 30 -13.990 -0.325 5.577 1.00 34.23 H new ATOM 0 HB2 LYS A 30 -15.882 -1.529 6.530 1.00 25.22 H new ATOM 0 HB3 LYS A 30 -14.863 -2.267 7.749 1.00 25.22 H new ATOM 0 HG2 LYS A 30 -14.521 -0.154 8.867 1.00 32.24 H new ATOM 0 HG3 LYS A 30 -15.256 0.735 7.548 1.00 32.24 H new ATOM 0 HD2 LYS A 30 -16.735 -1.329 9.228 1.00 44.30 H new ATOM 0 HD3 LYS A 30 -16.755 0.392 9.561 1.00 44.30 H new ATOM 0 HE2 LYS A 30 -17.380 0.208 6.821 1.00 2.42 H new ATOM 0 HE3 LYS A 30 -18.243 -1.132 7.550 1.00 2.42 H new ATOM 0 HZ1 LYS A 30 -19.578 0.873 7.549 1.00 13.14 H new ATOM 0 HZ2 LYS A 30 -19.231 0.407 9.145 1.00 13.14 H new ATOM 0 HZ3 LYS A 30 -18.396 1.706 8.439 1.00 13.14 H new ATOM 475 N LYS A 31 -11.869 -1.754 7.627 1.00 65.55 N ATOM 476 CA LYS A 31 -10.695 -1.519 8.459 1.00 30.13 C ATOM 477 C LYS A 31 -9.627 -0.749 7.689 1.00 10.03 C ATOM 478 O LYS A 31 -9.091 0.245 8.180 1.00 41.23 O ATOM 479 CB LYS A 31 -10.122 -2.848 8.956 1.00 21.31 C ATOM 480 CG LYS A 31 -8.769 -2.712 9.634 1.00 75.11 C ATOM 481 CD LYS A 31 -7.673 -3.393 8.832 1.00 21.35 C ATOM 482 CE LYS A 31 -7.298 -4.740 9.433 1.00 52.42 C ATOM 483 NZ LYS A 31 -8.494 -5.598 9.660 1.00 1.41 N ATOM 0 H LYS A 31 -12.082 -2.739 7.469 1.00 65.55 H new ATOM 0 HA LYS A 31 -11.003 -0.920 9.316 1.00 30.13 H new ATOM 0 HB2 LYS A 31 -10.826 -3.298 9.656 1.00 21.31 H new ATOM 0 HB3 LYS A 31 -10.029 -3.532 8.112 1.00 21.31 H new ATOM 0 HG2 LYS A 31 -8.528 -1.656 9.758 1.00 75.11 H new ATOM 0 HG3 LYS A 31 -8.815 -3.148 10.632 1.00 75.11 H new ATOM 0 HD2 LYS A 31 -8.006 -3.532 7.804 1.00 21.35 H new ATOM 0 HD3 LYS A 31 -6.793 -2.751 8.798 1.00 21.35 H new ATOM 0 HE2 LYS A 31 -6.603 -5.254 8.768 1.00 52.42 H new ATOM 0 HE3 LYS A 31 -6.778 -4.584 10.378 1.00 52.42 H new ATOM 0 HZ1 LYS A 31 -8.200 -6.594 9.724 1.00 1.41 H new ATOM 0 HZ2 LYS A 31 -8.960 -5.317 10.547 1.00 1.41 H new ATOM 0 HZ3 LYS A 31 -9.159 -5.483 8.869 1.00 1.41 H new ATOM 497 N ILE A 32 -9.324 -1.213 6.482 1.00 72.42 N ATOM 498 CA ILE A 32 -8.322 -0.566 5.644 1.00 33.10 C ATOM 499 C ILE A 32 -8.785 0.819 5.205 1.00 42.02 C ATOM 500 O ILE A 32 -8.006 1.772 5.201 1.00 10.54 O ATOM 501 CB ILE A 32 -8.004 -1.409 4.395 1.00 45.42 C ATOM 502 CG1 ILE A 32 -7.071 -2.566 4.758 1.00 44.32 C ATOM 503 CG2 ILE A 32 -7.381 -0.538 3.314 1.00 63.03 C ATOM 504 CD1 ILE A 32 -6.823 -3.524 3.614 1.00 44.33 C ATOM 0 H ILE A 32 -9.758 -2.035 6.062 1.00 72.42 H new ATOM 0 HA ILE A 32 -7.419 -0.470 6.247 1.00 33.10 H new ATOM 0 HB ILE A 32 -8.934 -1.825 4.008 1.00 45.42 H new ATOM 0 HG12 ILE A 32 -6.117 -2.161 5.095 1.00 44.32 H new ATOM 0 HG13 ILE A 32 -7.497 -3.117 5.596 1.00 44.32 H new ATOM 0 HG21 ILE A 32 -7.162 -1.147 2.437 1.00 63.03 H new ATOM 0 HG22 ILE A 32 -8.077 0.255 3.040 1.00 63.03 H new ATOM 0 HG23 ILE A 32 -6.458 -0.097 3.689 1.00 63.03 H new ATOM 0 HD11 ILE A 32 -6.153 -4.318 3.943 1.00 44.33 H new ATOM 0 HD12 ILE A 32 -7.769 -3.958 3.291 1.00 44.33 H new ATOM 0 HD13 ILE A 32 -6.367 -2.987 2.782 1.00 44.33 H new ATOM 516 N ARG A 33 -10.058 0.923 4.836 1.00 25.34 N ATOM 517 CA ARG A 33 -10.624 2.192 4.396 1.00 75.40 C ATOM 518 C ARG A 33 -10.768 3.159 5.567 1.00 24.13 C ATOM 519 O ARG A 33 -10.852 4.372 5.377 1.00 44.34 O ATOM 520 CB ARG A 33 -11.987 1.965 3.738 1.00 31.15 C ATOM 521 CG ARG A 33 -12.726 3.252 3.409 1.00 62.43 C ATOM 522 CD ARG A 33 -13.929 2.990 2.516 1.00 44.23 C ATOM 523 NE ARG A 33 -15.185 3.335 3.175 1.00 12.22 N ATOM 524 CZ ARG A 33 -16.381 3.068 2.663 1.00 14.10 C ATOM 525 NH1 ARG A 33 -16.483 2.456 1.491 1.00 21.35 N ATOM 526 NH2 ARG A 33 -17.479 3.413 3.323 1.00 13.34 N ATOM 0 H ARG A 33 -10.716 0.144 4.833 1.00 25.34 H new ATOM 0 HA ARG A 33 -9.943 2.631 3.667 1.00 75.40 H new ATOM 0 HB2 ARG A 33 -11.848 1.391 2.822 1.00 31.15 H new ATOM 0 HB3 ARG A 33 -12.605 1.360 4.402 1.00 31.15 H new ATOM 0 HG2 ARG A 33 -13.054 3.731 4.332 1.00 62.43 H new ATOM 0 HG3 ARG A 33 -12.047 3.946 2.913 1.00 62.43 H new ATOM 0 HD2 ARG A 33 -13.831 3.568 1.597 1.00 44.23 H new ATOM 0 HD3 ARG A 33 -13.946 1.938 2.231 1.00 44.23 H new ATOM 0 HE ARG A 33 -15.142 3.807 4.078 1.00 12.22 H new ATOM 0 HH11 ARG A 33 -15.641 2.189 0.980 1.00 21.35 H new ATOM 0 HH12 ARG A 33 -17.403 2.252 1.100 1.00 21.35 H new ATOM 0 HH21 ARG A 33 -17.405 3.884 4.225 1.00 13.34 H new ATOM 0 HH22 ARG A 33 -18.397 3.207 2.929 1.00 13.34 H new ATOM 540 N ASP A 34 -10.795 2.613 6.778 1.00 12.42 N ATOM 541 CA ASP A 34 -10.928 3.428 7.981 1.00 64.42 C ATOM 542 C ASP A 34 -9.567 3.669 8.626 1.00 4.11 C ATOM 543 O ASP A 34 -9.479 4.195 9.736 1.00 4.34 O ATOM 544 CB ASP A 34 -11.867 2.750 8.980 1.00 3.32 C ATOM 545 CG ASP A 34 -13.312 2.775 8.524 1.00 34.23 C ATOM 546 OD1 ASP A 34 -13.554 3.055 7.331 1.00 31.13 O ATOM 547 OD2 ASP A 34 -14.202 2.513 9.360 1.00 12.03 O ATOM 0 H ASP A 34 -10.727 1.610 6.953 1.00 12.42 H new ATOM 0 HA ASP A 34 -11.350 4.391 7.694 1.00 64.42 H new ATOM 0 HB2 ASP A 34 -11.553 1.717 9.126 1.00 3.32 H new ATOM 0 HB3 ASP A 34 -11.785 3.247 9.946 1.00 3.32 H new ATOM 552 N LEU A 35 -8.508 3.281 7.924 1.00 23.34 N ATOM 553 CA LEU A 35 -7.150 3.454 8.429 1.00 61.00 C ATOM 554 C LEU A 35 -6.803 4.933 8.562 1.00 41.44 C ATOM 555 O LEU A 35 -7.432 5.801 7.954 1.00 24.55 O ATOM 556 CB LEU A 35 -6.148 2.765 7.501 1.00 31.41 C ATOM 557 CG LEU A 35 -5.945 1.266 7.727 1.00 3.14 C ATOM 558 CD1 LEU A 35 -5.085 0.671 6.623 1.00 54.24 C ATOM 559 CD2 LEU A 35 -5.316 1.013 9.090 1.00 44.03 C ATOM 0 H LEU A 35 -8.563 2.845 7.004 1.00 23.34 H new ATOM 0 HA LEU A 35 -7.095 2.996 9.417 1.00 61.00 H new ATOM 0 HB2 LEU A 35 -6.473 2.916 6.472 1.00 31.41 H new ATOM 0 HB3 LEU A 35 -5.184 3.262 7.607 1.00 31.41 H new ATOM 0 HG LEU A 35 -6.920 0.779 7.702 1.00 3.14 H new ATOM 0 HD11 LEU A 35 -4.952 -0.396 6.801 1.00 54.24 H new ATOM 0 HD12 LEU A 35 -5.574 0.820 5.660 1.00 54.24 H new ATOM 0 HD13 LEU A 35 -4.112 1.162 6.615 1.00 54.24 H new ATOM 0 HD21 LEU A 35 -5.179 -0.059 9.234 1.00 44.03 H new ATOM 0 HD22 LEU A 35 -4.349 1.513 9.143 1.00 44.03 H new ATOM 0 HD23 LEU A 35 -5.969 1.403 9.870 1.00 44.03 H new ATOM 571 N PRO A 36 -5.777 5.230 9.373 1.00 42.32 N ATOM 572 CA PRO A 36 -5.321 6.605 9.602 1.00 61.41 C ATOM 573 C PRO A 36 -4.650 7.205 8.372 1.00 42.45 C ATOM 574 O PRO A 36 -3.624 6.707 7.907 1.00 1.22 O ATOM 575 CB PRO A 36 -4.312 6.458 10.743 1.00 23.24 C ATOM 576 CG PRO A 36 -3.821 5.055 10.637 1.00 44.41 C ATOM 577 CD PRO A 36 -4.982 4.247 10.128 1.00 13.33 C ATOM 0 HA PRO A 36 -6.149 7.277 9.830 1.00 61.41 H new ATOM 0 HB2 PRO A 36 -3.495 7.172 10.643 1.00 23.24 H new ATOM 0 HB3 PRO A 36 -4.779 6.642 11.711 1.00 23.24 H new ATOM 0 HG2 PRO A 36 -2.972 4.989 9.957 1.00 44.41 H new ATOM 0 HG3 PRO A 36 -3.483 4.686 11.605 1.00 44.41 H new ATOM 0 HD2 PRO A 36 -4.652 3.425 9.493 1.00 13.33 H new ATOM 0 HD3 PRO A 36 -5.555 3.809 10.945 1.00 13.33 H new ATOM 585 N ILE A 37 -5.235 8.278 7.849 1.00 64.13 N ATOM 586 CA ILE A 37 -4.691 8.947 6.673 1.00 34.21 C ATOM 587 C ILE A 37 -3.370 9.637 6.995 1.00 60.33 C ATOM 588 O ILE A 37 -2.474 9.708 6.153 1.00 32.45 O ATOM 589 CB ILE A 37 -5.678 9.988 6.112 1.00 62.12 C ATOM 590 CG1 ILE A 37 -6.144 10.931 7.222 1.00 13.43 C ATOM 591 CG2 ILE A 37 -6.867 9.295 5.464 1.00 51.14 C ATOM 592 CD1 ILE A 37 -7.025 12.057 6.728 1.00 12.42 C ATOM 0 H ILE A 37 -6.085 8.702 8.221 1.00 64.13 H new ATOM 0 HA ILE A 37 -4.521 8.176 5.921 1.00 34.21 H new ATOM 0 HB ILE A 37 -5.167 10.578 5.351 1.00 62.12 H new ATOM 0 HG12 ILE A 37 -6.689 10.356 7.971 1.00 13.43 H new ATOM 0 HG13 ILE A 37 -5.271 11.355 7.718 1.00 13.43 H new ATOM 0 HG21 ILE A 37 -7.555 10.044 5.072 1.00 51.14 H new ATOM 0 HG22 ILE A 37 -6.519 8.661 4.649 1.00 51.14 H new ATOM 0 HG23 ILE A 37 -7.380 8.683 6.206 1.00 51.14 H new ATOM 0 HD11 ILE A 37 -7.318 12.686 7.569 1.00 12.42 H new ATOM 0 HD12 ILE A 37 -6.477 12.656 6.001 1.00 12.42 H new ATOM 0 HD13 ILE A 37 -7.916 11.642 6.258 1.00 12.42 H new ATOM 604 N SER A 38 -3.255 10.143 8.218 1.00 32.55 N ATOM 605 CA SER A 38 -2.044 10.829 8.651 1.00 24.24 C ATOM 606 C SER A 38 -0.871 9.857 8.738 1.00 4.24 C ATOM 607 O SER A 38 0.292 10.263 8.691 1.00 74.31 O ATOM 608 CB SER A 38 -2.268 11.498 10.009 1.00 74.41 C ATOM 609 OG SER A 38 -2.700 12.838 9.852 1.00 74.02 O ATOM 0 H SER A 38 -3.986 10.091 8.927 1.00 32.55 H new ATOM 0 HA SER A 38 -1.806 11.594 7.912 1.00 24.24 H new ATOM 0 HB2 SER A 38 -3.011 10.937 10.576 1.00 74.41 H new ATOM 0 HB3 SER A 38 -1.343 11.476 10.586 1.00 74.41 H new ATOM 0 HG SER A 38 -2.838 13.243 10.734 1.00 74.02 H new ATOM 615 N LEU A 39 -1.183 8.572 8.866 1.00 12.41 N ATOM 616 CA LEU A 39 -0.156 7.541 8.960 1.00 60.21 C ATOM 617 C LEU A 39 0.516 7.317 7.609 1.00 72.21 C ATOM 618 O LEU A 39 1.686 6.940 7.541 1.00 72.45 O ATOM 619 CB LEU A 39 -0.765 6.231 9.463 1.00 73.13 C ATOM 620 CG LEU A 39 0.105 5.407 10.413 1.00 55.12 C ATOM 621 CD1 LEU A 39 -0.751 4.748 11.483 1.00 20.43 C ATOM 622 CD2 LEU A 39 0.895 4.361 9.640 1.00 4.43 C ATOM 0 H LEU A 39 -2.139 8.219 8.907 1.00 12.41 H new ATOM 0 HA LEU A 39 0.600 7.879 9.669 1.00 60.21 H new ATOM 0 HB2 LEU A 39 -1.703 6.460 9.968 1.00 73.13 H new ATOM 0 HB3 LEU A 39 -1.011 5.613 8.600 1.00 73.13 H new ATOM 0 HG LEU A 39 0.811 6.077 10.903 1.00 55.12 H new ATOM 0 HD11 LEU A 39 -0.115 4.166 12.150 1.00 20.43 H new ATOM 0 HD12 LEU A 39 -1.272 5.515 12.056 1.00 20.43 H new ATOM 0 HD13 LEU A 39 -1.481 4.090 11.011 1.00 20.43 H new ATOM 0 HD21 LEU A 39 1.509 3.784 10.332 1.00 4.43 H new ATOM 0 HD22 LEU A 39 0.206 3.694 9.123 1.00 4.43 H new ATOM 0 HD23 LEU A 39 1.537 4.855 8.911 1.00 4.43 H new ATOM 634 N PHE A 40 -0.231 7.554 6.536 1.00 75.31 N ATOM 635 CA PHE A 40 0.292 7.379 5.186 1.00 0.10 C ATOM 636 C PHE A 40 0.144 8.663 4.375 1.00 4.31 C ATOM 637 O PHE A 40 -0.968 9.123 4.118 1.00 53.21 O ATOM 638 CB PHE A 40 -0.432 6.231 4.480 1.00 22.30 C ATOM 639 CG PHE A 40 -0.704 5.054 5.373 1.00 2.34 C ATOM 640 CD1 PHE A 40 -1.855 5.004 6.143 1.00 61.40 C ATOM 641 CD2 PHE A 40 0.191 3.999 5.443 1.00 22.01 C ATOM 642 CE1 PHE A 40 -2.107 3.923 6.966 1.00 31.44 C ATOM 643 CE2 PHE A 40 -0.056 2.915 6.264 1.00 21.04 C ATOM 644 CZ PHE A 40 -1.207 2.876 7.026 1.00 11.52 C ATOM 0 H PHE A 40 -1.201 7.868 6.575 1.00 75.31 H new ATOM 0 HA PHE A 40 1.352 7.138 5.263 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -1.377 6.599 4.080 1.00 22.30 H new ATOM 0 HB3 PHE A 40 0.167 5.902 3.631 1.00 22.30 H new ATOM 0 HD1 PHE A 40 -2.563 5.819 6.099 1.00 61.40 H new ATOM 0 HD2 PHE A 40 1.093 4.024 4.849 1.00 22.01 H new ATOM 0 HE1 PHE A 40 -3.007 3.896 7.562 1.00 31.44 H new ATOM 0 HE2 PHE A 40 0.650 2.099 6.310 1.00 21.04 H new ATOM 0 HZ PHE A 40 -1.403 2.029 7.667 1.00 11.52 H new ATOM 654 N ASP A 41 1.274 9.237 3.976 1.00 22.12 N ATOM 655 CA ASP A 41 1.272 10.468 3.194 1.00 21.31 C ATOM 656 C ASP A 41 0.380 10.329 1.964 1.00 21.43 C ATOM 657 O ASP A 41 -0.158 11.315 1.461 1.00 72.23 O ATOM 658 CB ASP A 41 2.696 10.829 2.768 1.00 10.14 C ATOM 659 CG ASP A 41 3.159 12.148 3.356 1.00 54.14 C ATOM 660 OD1 ASP A 41 2.433 13.152 3.203 1.00 55.34 O ATOM 661 OD2 ASP A 41 4.247 12.176 3.967 1.00 2.33 O ATOM 0 H ASP A 41 2.203 8.869 4.181 1.00 22.12 H new ATOM 0 HA ASP A 41 0.875 11.267 3.820 1.00 21.31 H new ATOM 0 HB2 ASP A 41 3.377 10.037 3.079 1.00 10.14 H new ATOM 0 HB3 ASP A 41 2.744 10.882 1.680 1.00 10.14 H new ATOM 666 N TYR A 42 0.229 9.099 1.486 1.00 62.15 N ATOM 667 CA TYR A 42 -0.595 8.831 0.313 1.00 45.14 C ATOM 668 C TYR A 42 -1.359 7.520 0.471 1.00 4.12 C ATOM 669 O TYR A 42 -0.766 6.467 0.709 1.00 10.41 O ATOM 670 CB TYR A 42 0.274 8.779 -0.945 1.00 41.14 C ATOM 671 CG TYR A 42 -0.506 8.495 -2.209 1.00 15.02 C ATOM 672 CD1 TYR A 42 -1.753 9.070 -2.422 1.00 73.04 C ATOM 673 CD2 TYR A 42 0.002 7.651 -3.188 1.00 41.24 C ATOM 674 CE1 TYR A 42 -2.471 8.813 -3.575 1.00 25.12 C ATOM 675 CE2 TYR A 42 -0.707 7.390 -4.344 1.00 74.44 C ATOM 676 CZ TYR A 42 -1.943 7.972 -4.533 1.00 11.50 C ATOM 677 OH TYR A 42 -2.654 7.713 -5.683 1.00 4.34 O ATOM 0 H TYR A 42 0.666 8.272 1.892 1.00 62.15 H new ATOM 0 HA TYR A 42 -1.317 9.642 0.215 1.00 45.14 H new ATOM 0 HB2 TYR A 42 0.795 9.730 -1.056 1.00 41.14 H new ATOM 0 HB3 TYR A 42 1.036 8.010 -0.818 1.00 41.14 H new ATOM 0 HD1 TYR A 42 -2.168 9.729 -1.674 1.00 73.04 H new ATOM 0 HD2 TYR A 42 0.968 7.191 -3.043 1.00 41.24 H new ATOM 0 HE1 TYR A 42 -3.439 9.268 -3.725 1.00 25.12 H new ATOM 0 HE2 TYR A 42 -0.296 6.733 -5.096 1.00 74.44 H new ATOM 0 HH TYR A 42 -3.614 7.781 -5.497 1.00 4.34 H new ATOM 687 N PHE A 43 -2.679 7.592 0.337 1.00 43.41 N ATOM 688 CA PHE A 43 -3.526 6.412 0.465 1.00 1.42 C ATOM 689 C PHE A 43 -4.544 6.348 -0.670 1.00 23.42 C ATOM 690 O PHE A 43 -5.418 7.207 -0.784 1.00 2.55 O ATOM 691 CB PHE A 43 -4.249 6.422 1.814 1.00 61.23 C ATOM 692 CG PHE A 43 -4.403 5.057 2.421 1.00 73.44 C ATOM 693 CD1 PHE A 43 -4.402 3.925 1.622 1.00 73.44 C ATOM 694 CD2 PHE A 43 -4.550 4.905 3.790 1.00 10.31 C ATOM 695 CE1 PHE A 43 -4.544 2.667 2.177 1.00 62.31 C ATOM 696 CE2 PHE A 43 -4.691 3.650 4.351 1.00 55.10 C ATOM 697 CZ PHE A 43 -4.690 2.530 3.543 1.00 24.44 C ATOM 0 H PHE A 43 -3.185 8.455 0.140 1.00 43.41 H new ATOM 0 HA PHE A 43 -2.889 5.529 0.408 1.00 1.42 H new ATOM 0 HB2 PHE A 43 -3.700 7.059 2.507 1.00 61.23 H new ATOM 0 HB3 PHE A 43 -5.236 6.867 1.685 1.00 61.23 H new ATOM 0 HD1 PHE A 43 -4.289 4.027 0.553 1.00 73.44 H new ATOM 0 HD2 PHE A 43 -4.554 5.778 4.426 1.00 10.31 H new ATOM 0 HE1 PHE A 43 -4.541 1.793 1.543 1.00 62.31 H new ATOM 0 HE2 PHE A 43 -4.802 3.545 5.420 1.00 55.10 H new ATOM 0 HZ PHE A 43 -4.803 1.548 3.979 1.00 24.44 H new ATOM 707 N ILE A 44 -4.423 5.323 -1.507 1.00 22.10 N ATOM 708 CA ILE A 44 -5.332 5.145 -2.632 1.00 43.35 C ATOM 709 C ILE A 44 -5.756 3.687 -2.771 1.00 52.35 C ATOM 710 O ILE A 44 -4.928 2.808 -3.009 1.00 41.11 O ATOM 711 CB ILE A 44 -4.690 5.610 -3.953 1.00 62.52 C ATOM 712 CG1 ILE A 44 -5.507 5.110 -5.146 1.00 71.42 C ATOM 713 CG2 ILE A 44 -3.253 5.118 -4.045 1.00 60.03 C ATOM 714 CD1 ILE A 44 -5.581 6.101 -6.286 1.00 51.21 C ATOM 0 H ILE A 44 -3.704 4.603 -1.427 1.00 22.10 H new ATOM 0 HA ILE A 44 -6.210 5.758 -2.429 1.00 43.35 H new ATOM 0 HB ILE A 44 -4.683 6.700 -3.973 1.00 62.52 H new ATOM 0 HG12 ILE A 44 -5.070 4.181 -5.511 1.00 71.42 H new ATOM 0 HG13 ILE A 44 -6.518 4.877 -4.812 1.00 71.42 H new ATOM 0 HG21 ILE A 44 -2.813 5.454 -4.984 1.00 60.03 H new ATOM 0 HG22 ILE A 44 -2.677 5.518 -3.210 1.00 60.03 H new ATOM 0 HG23 ILE A 44 -3.238 4.029 -4.007 1.00 60.03 H new ATOM 0 HD11 ILE A 44 -6.175 5.679 -7.097 1.00 51.21 H new ATOM 0 HD12 ILE A 44 -6.046 7.023 -5.937 1.00 51.21 H new ATOM 0 HD13 ILE A 44 -4.575 6.316 -6.647 1.00 51.21 H new ATOM 726 N VAL A 45 -7.053 3.438 -2.623 1.00 75.44 N ATOM 727 CA VAL A 45 -7.590 2.086 -2.735 1.00 45.43 C ATOM 728 C VAL A 45 -8.629 1.998 -3.847 1.00 34.03 C ATOM 729 O VAL A 45 -9.491 2.866 -3.975 1.00 55.11 O ATOM 730 CB VAL A 45 -8.228 1.624 -1.412 1.00 11.51 C ATOM 731 CG1 VAL A 45 -8.329 0.107 -1.368 1.00 44.43 C ATOM 732 CG2 VAL A 45 -7.433 2.149 -0.226 1.00 21.32 C ATOM 0 H VAL A 45 -7.752 4.154 -2.425 1.00 75.44 H new ATOM 0 HA VAL A 45 -6.752 1.431 -2.973 1.00 45.43 H new ATOM 0 HB VAL A 45 -9.237 2.032 -1.353 1.00 11.51 H new ATOM 0 HG11 VAL A 45 -8.782 -0.200 -0.426 1.00 44.43 H new ATOM 0 HG12 VAL A 45 -8.945 -0.241 -2.197 1.00 44.43 H new ATOM 0 HG13 VAL A 45 -7.332 -0.327 -1.450 1.00 44.43 H new ATOM 0 HG21 VAL A 45 -7.898 1.813 0.701 1.00 21.32 H new ATOM 0 HG22 VAL A 45 -6.412 1.772 -0.277 1.00 21.32 H new ATOM 0 HG23 VAL A 45 -7.419 3.239 -0.251 1.00 21.32 H new ATOM 742 N GLY A 46 -8.542 0.941 -4.649 1.00 0.20 N ATOM 743 CA GLY A 46 -9.482 0.758 -5.740 1.00 3.04 C ATOM 744 C GLY A 46 -10.072 -0.638 -5.768 1.00 13.32 C ATOM 745 O GLY A 46 -9.342 -1.628 -5.731 1.00 15.41 O ATOM 0 H GLY A 46 -7.838 0.208 -4.563 1.00 0.20 H new ATOM 0 HA2 GLY A 46 -10.287 1.488 -5.649 1.00 3.04 H new ATOM 0 HA3 GLY A 46 -8.979 0.956 -6.686 1.00 3.04 H new ATOM 749 N GLU A 47 -11.398 -0.717 -5.832 1.00 2.42 N ATOM 750 CA GLU A 47 -12.085 -2.002 -5.862 1.00 72.31 C ATOM 751 C GLU A 47 -12.257 -2.494 -7.297 1.00 0.35 C ATOM 752 O GLU A 47 -12.656 -1.735 -8.179 1.00 42.03 O ATOM 753 CB GLU A 47 -13.452 -1.891 -5.182 1.00 64.33 C ATOM 754 CG GLU A 47 -14.249 -3.184 -5.204 1.00 71.42 C ATOM 755 CD GLU A 47 -14.386 -3.809 -3.829 1.00 64.02 C ATOM 756 OE1 GLU A 47 -13.372 -3.875 -3.103 1.00 43.34 O ATOM 757 OE2 GLU A 47 -15.507 -4.232 -3.479 1.00 74.02 O ATOM 0 H GLU A 47 -12.017 0.093 -5.864 1.00 2.42 H new ATOM 0 HA GLU A 47 -11.475 -2.724 -5.319 1.00 72.31 H new ATOM 0 HB2 GLU A 47 -13.309 -1.579 -4.147 1.00 64.33 H new ATOM 0 HB3 GLU A 47 -14.031 -1.109 -5.674 1.00 64.33 H new ATOM 0 HG2 GLU A 47 -15.241 -2.988 -5.610 1.00 71.42 H new ATOM 0 HG3 GLU A 47 -13.765 -3.894 -5.875 1.00 71.42 H new ATOM 764 N GLU A 48 -11.952 -3.768 -7.520 1.00 31.33 N ATOM 765 CA GLU A 48 -12.071 -4.360 -8.847 1.00 34.41 C ATOM 766 C GLU A 48 -13.323 -5.228 -8.945 1.00 51.33 C ATOM 767 O GLU A 48 -13.485 -6.190 -8.196 1.00 53.11 O ATOM 768 CB GLU A 48 -10.831 -5.197 -9.170 1.00 15.21 C ATOM 769 CG GLU A 48 -10.595 -5.384 -10.659 1.00 64.10 C ATOM 770 CD GLU A 48 -11.029 -6.751 -11.152 1.00 15.34 C ATOM 771 OE1 GLU A 48 -12.230 -7.071 -11.027 1.00 32.11 O ATOM 772 OE2 GLU A 48 -10.170 -7.500 -11.661 1.00 40.40 O ATOM 0 H GLU A 48 -11.621 -4.410 -6.800 1.00 31.33 H new ATOM 0 HA GLU A 48 -12.153 -3.550 -9.572 1.00 34.41 H new ATOM 0 HB2 GLU A 48 -9.956 -4.720 -8.729 1.00 15.21 H new ATOM 0 HB3 GLU A 48 -10.931 -6.176 -8.701 1.00 15.21 H new ATOM 0 HG2 GLU A 48 -11.138 -4.615 -11.208 1.00 64.10 H new ATOM 0 HG3 GLU A 48 -9.536 -5.243 -10.876 1.00 64.10 H new ATOM 779 N GLY A 49 -14.207 -4.878 -9.876 1.00 24.43 N ATOM 780 CA GLY A 49 -15.433 -5.634 -10.055 1.00 43.21 C ATOM 781 C GLY A 49 -15.904 -5.641 -11.496 1.00 2.41 C ATOM 782 O GLY A 49 -16.845 -4.933 -11.851 1.00 52.12 O ATOM 0 H GLY A 49 -14.096 -4.085 -10.508 1.00 24.43 H new ATOM 0 HA2 GLY A 49 -15.276 -6.660 -9.722 1.00 43.21 H new ATOM 0 HA3 GLY A 49 -16.213 -5.210 -9.423 1.00 43.21 H new ATOM 786 N ASN A 50 -15.246 -6.441 -12.328 1.00 72.41 N ATOM 787 CA ASN A 50 -15.602 -6.536 -13.739 1.00 50.53 C ATOM 788 C ASN A 50 -17.034 -7.035 -13.907 1.00 41.31 C ATOM 789 O ASN A 50 -17.787 -7.127 -12.938 1.00 65.11 O ATOM 790 CB ASN A 50 -14.635 -7.470 -14.469 1.00 74.32 C ATOM 791 CG ASN A 50 -14.092 -6.858 -15.746 1.00 1.13 C ATOM 792 OD1 ASN A 50 -14.702 -5.959 -16.324 1.00 43.54 O ATOM 793 ND2 ASN A 50 -12.939 -7.344 -16.191 1.00 32.21 N ATOM 0 H ASN A 50 -14.463 -7.033 -12.050 1.00 72.41 H new ATOM 0 HA ASN A 50 -15.531 -5.539 -14.174 1.00 50.53 H new ATOM 0 HB2 ASN A 50 -13.805 -7.719 -13.807 1.00 74.32 H new ATOM 0 HB3 ASN A 50 -15.145 -8.404 -14.705 1.00 74.32 H new ATOM 0 HD21 ASN A 50 -12.524 -6.971 -17.045 1.00 32.21 H new ATOM 0 HD22 ASN A 50 -12.468 -8.090 -15.679 1.00 32.21 H new ATOM 800 N GLU A 51 -17.402 -7.355 -15.144 1.00 30.43 N ATOM 801 CA GLU A 51 -18.744 -7.845 -15.438 1.00 3.02 C ATOM 802 C GLU A 51 -19.032 -9.134 -14.674 1.00 31.11 C ATOM 803 O GLU A 51 -18.204 -9.604 -13.894 1.00 41.44 O ATOM 804 CB GLU A 51 -18.906 -8.083 -16.941 1.00 2.43 C ATOM 805 CG GLU A 51 -18.918 -6.804 -17.761 1.00 42.13 C ATOM 806 CD GLU A 51 -20.322 -6.341 -18.100 1.00 4.15 C ATOM 807 OE1 GLU A 51 -21.031 -5.879 -17.181 1.00 44.10 O ATOM 808 OE2 GLU A 51 -20.711 -6.441 -19.282 1.00 11.44 O ATOM 0 H GLU A 51 -16.791 -7.284 -15.957 1.00 30.43 H new ATOM 0 HA GLU A 51 -19.458 -7.086 -15.118 1.00 3.02 H new ATOM 0 HB2 GLU A 51 -18.093 -8.720 -17.289 1.00 2.43 H new ATOM 0 HB3 GLU A 51 -19.835 -8.626 -17.116 1.00 2.43 H new ATOM 0 HG2 GLU A 51 -18.404 -6.018 -17.208 1.00 42.13 H new ATOM 0 HG3 GLU A 51 -18.359 -6.963 -18.683 1.00 42.13 H new ATOM 815 N GLU A 52 -20.213 -9.700 -14.904 1.00 1.10 N ATOM 816 CA GLU A 52 -20.611 -10.934 -14.236 1.00 51.44 C ATOM 817 C GLU A 52 -19.542 -12.010 -14.400 1.00 20.21 C ATOM 818 O GLU A 52 -18.802 -12.021 -15.383 1.00 21.45 O ATOM 819 CB GLU A 52 -21.945 -11.435 -14.795 1.00 45.42 C ATOM 820 CG GLU A 52 -22.893 -11.959 -13.730 1.00 4.33 C ATOM 821 CD GLU A 52 -23.000 -13.471 -13.738 1.00 35.23 C ATOM 822 OE1 GLU A 52 -23.716 -14.010 -14.609 1.00 3.45 O ATOM 823 OE2 GLU A 52 -22.371 -14.116 -12.874 1.00 25.12 O ATOM 0 H GLU A 52 -20.910 -9.324 -15.547 1.00 1.10 H new ATOM 0 HA GLU A 52 -20.728 -10.721 -13.173 1.00 51.44 H new ATOM 0 HB2 GLU A 52 -22.431 -10.622 -15.334 1.00 45.42 H new ATOM 0 HB3 GLU A 52 -21.752 -12.227 -15.519 1.00 45.42 H new ATOM 0 HG2 GLU A 52 -22.551 -11.628 -12.750 1.00 4.33 H new ATOM 0 HG3 GLU A 52 -23.882 -11.528 -13.885 1.00 4.33 H new ATOM 830 N GLY A 53 -19.467 -12.914 -13.428 1.00 33.52 N ATOM 831 CA GLY A 53 -18.486 -13.982 -13.482 1.00 30.22 C ATOM 832 C GLY A 53 -17.227 -13.653 -12.704 1.00 14.20 C ATOM 833 O GLY A 53 -16.461 -14.546 -12.343 1.00 61.23 O ATOM 0 H GLY A 53 -20.068 -12.926 -12.604 1.00 33.52 H new ATOM 0 HA2 GLY A 53 -18.927 -14.896 -13.084 1.00 30.22 H new ATOM 0 HA3 GLY A 53 -18.226 -14.180 -14.522 1.00 30.22 H new ATOM 837 N ARG A 54 -17.013 -12.367 -12.446 1.00 44.11 N ATOM 838 CA ARG A 54 -15.836 -11.922 -11.709 1.00 13.33 C ATOM 839 C ARG A 54 -16.207 -11.521 -10.284 1.00 33.12 C ATOM 840 O ARG A 54 -17.183 -10.803 -10.063 1.00 1.33 O ATOM 841 CB ARG A 54 -15.175 -10.743 -12.425 1.00 63.13 C ATOM 842 CG ARG A 54 -13.754 -10.468 -11.961 1.00 62.13 C ATOM 843 CD ARG A 54 -12.732 -10.949 -12.980 1.00 52.40 C ATOM 844 NE ARG A 54 -12.717 -12.404 -13.095 1.00 74.45 N ATOM 845 CZ ARG A 54 -12.165 -13.208 -12.193 1.00 41.42 C ATOM 846 NH1 ARG A 54 -11.585 -12.699 -11.114 1.00 75.15 N ATOM 847 NH2 ARG A 54 -12.192 -14.523 -12.369 1.00 3.43 N ATOM 0 H ARG A 54 -17.639 -11.615 -12.736 1.00 44.11 H new ATOM 0 HA ARG A 54 -15.131 -12.752 -11.664 1.00 13.33 H new ATOM 0 HB2 ARG A 54 -15.167 -10.938 -13.497 1.00 63.13 H new ATOM 0 HB3 ARG A 54 -15.779 -9.849 -12.269 1.00 63.13 H new ATOM 0 HG2 ARG A 54 -13.626 -9.399 -11.792 1.00 62.13 H new ATOM 0 HG3 ARG A 54 -13.579 -10.965 -11.007 1.00 62.13 H new ATOM 0 HD2 ARG A 54 -12.956 -10.511 -13.953 1.00 52.40 H new ATOM 0 HD3 ARG A 54 -11.741 -10.598 -12.693 1.00 52.40 H new ATOM 0 HE ARG A 54 -13.155 -12.827 -13.913 1.00 74.45 H new ATOM 0 HH11 ARG A 54 -11.562 -11.689 -10.976 1.00 75.15 H new ATOM 0 HH12 ARG A 54 -11.162 -13.318 -10.423 1.00 75.15 H new ATOM 0 HH21 ARG A 54 -12.637 -14.918 -13.198 1.00 3.43 H new ATOM 0 HH22 ARG A 54 -11.768 -15.139 -11.676 1.00 3.43 H new ATOM 861 N THR A 55 -15.423 -11.991 -9.319 1.00 24.10 N ATOM 862 CA THR A 55 -15.669 -11.684 -7.916 1.00 10.12 C ATOM 863 C THR A 55 -14.982 -10.385 -7.508 1.00 70.54 C ATOM 864 O THR A 55 -14.037 -9.927 -8.150 1.00 62.15 O ATOM 865 CB THR A 55 -15.180 -12.820 -6.998 1.00 32.02 C ATOM 866 OG1 THR A 55 -14.287 -13.680 -7.715 1.00 54.30 O ATOM 867 CG2 THR A 55 -16.354 -13.629 -6.466 1.00 63.12 C ATOM 0 H THR A 55 -14.611 -12.586 -9.484 1.00 24.10 H new ATOM 0 HA THR A 55 -16.747 -11.573 -7.802 1.00 10.12 H new ATOM 0 HB THR A 55 -14.654 -12.374 -6.154 1.00 32.02 H new ATOM 0 HG1 THR A 55 -13.979 -14.398 -7.124 1.00 54.30 H new ATOM 0 HG21 THR A 55 -15.984 -14.425 -5.820 1.00 63.12 H new ATOM 0 HG22 THR A 55 -17.016 -12.977 -5.896 1.00 63.12 H new ATOM 0 HG23 THR A 55 -16.904 -14.064 -7.300 1.00 63.12 H new ATOM 875 N PRO A 56 -15.466 -9.777 -6.415 1.00 44.02 N ATOM 876 CA PRO A 56 -14.911 -8.523 -5.897 1.00 13.21 C ATOM 877 C PRO A 56 -13.521 -8.707 -5.299 1.00 43.10 C ATOM 878 O PRO A 56 -13.341 -9.455 -4.337 1.00 74.15 O ATOM 879 CB PRO A 56 -15.911 -8.115 -4.811 1.00 65.32 C ATOM 880 CG PRO A 56 -16.541 -9.394 -4.378 1.00 1.45 C ATOM 881 CD PRO A 56 -16.590 -10.267 -5.601 1.00 13.23 C ATOM 0 HA PRO A 56 -14.785 -7.778 -6.682 1.00 13.21 H new ATOM 0 HB2 PRO A 56 -15.412 -7.618 -3.979 1.00 65.32 H new ATOM 0 HB3 PRO A 56 -16.654 -7.419 -5.199 1.00 65.32 H new ATOM 0 HG2 PRO A 56 -15.961 -9.866 -3.585 1.00 1.45 H new ATOM 0 HG3 PRO A 56 -17.542 -9.221 -3.982 1.00 1.45 H new ATOM 0 HD2 PRO A 56 -16.473 -11.321 -5.348 1.00 13.23 H new ATOM 0 HD3 PRO A 56 -17.540 -10.169 -6.127 1.00 13.23 H new ATOM 889 N HIS A 57 -12.539 -8.020 -5.874 1.00 3.32 N ATOM 890 CA HIS A 57 -11.163 -8.107 -5.396 1.00 52.02 C ATOM 891 C HIS A 57 -10.651 -6.737 -4.962 1.00 61.01 C ATOM 892 O HIS A 57 -10.943 -5.723 -5.598 1.00 32.23 O ATOM 893 CB HIS A 57 -10.258 -8.681 -6.487 1.00 0.15 C ATOM 894 CG HIS A 57 -8.836 -8.859 -6.052 1.00 22.11 C ATOM 895 ND1 HIS A 57 -8.337 -10.055 -5.580 1.00 71.03 N ATOM 896 CD2 HIS A 57 -7.803 -7.984 -6.021 1.00 73.30 C ATOM 897 CE1 HIS A 57 -7.060 -9.908 -5.276 1.00 40.24 C ATOM 898 NE2 HIS A 57 -6.711 -8.660 -5.535 1.00 73.41 N ATOM 0 H HIS A 57 -12.670 -7.397 -6.671 1.00 3.32 H new ATOM 0 HA HIS A 57 -11.145 -8.772 -4.532 1.00 52.02 H new ATOM 0 HB2 HIS A 57 -10.655 -9.644 -6.807 1.00 0.15 H new ATOM 0 HB3 HIS A 57 -10.284 -8.021 -7.354 1.00 0.15 H new ATOM 0 HD1 HIS A 57 -8.871 -10.918 -5.481 1.00 71.03 H new ATOM 0 HD2 HIS A 57 -7.832 -6.947 -6.322 1.00 73.30 H new ATOM 0 HE1 HIS A 57 -6.411 -10.677 -4.883 1.00 40.24 H new ATOM 906 N LEU A 58 -9.886 -6.714 -3.876 1.00 52.20 N ATOM 907 CA LEU A 58 -9.333 -5.468 -3.356 1.00 54.11 C ATOM 908 C LEU A 58 -7.930 -5.225 -3.902 1.00 22.55 C ATOM 909 O LEU A 58 -7.093 -6.128 -3.910 1.00 0.24 O ATOM 910 CB LEU A 58 -9.300 -5.501 -1.827 1.00 51.31 C ATOM 911 CG LEU A 58 -10.057 -4.379 -1.115 1.00 42.21 C ATOM 912 CD1 LEU A 58 -9.811 -4.437 0.385 1.00 63.05 C ATOM 913 CD2 LEU A 58 -9.648 -3.023 -1.672 1.00 53.11 C ATOM 0 H LEU A 58 -9.635 -7.544 -3.339 1.00 52.20 H new ATOM 0 HA LEU A 58 -9.976 -4.650 -3.682 1.00 54.11 H new ATOM 0 HB2 LEU A 58 -9.709 -6.455 -1.495 1.00 51.31 H new ATOM 0 HB3 LEU A 58 -8.259 -5.471 -1.505 1.00 51.31 H new ATOM 0 HG LEU A 58 -11.124 -4.516 -1.293 1.00 42.21 H new ATOM 0 HD11 LEU A 58 -10.358 -3.631 0.875 1.00 63.05 H new ATOM 0 HD12 LEU A 58 -10.154 -5.396 0.773 1.00 63.05 H new ATOM 0 HD13 LEU A 58 -8.745 -4.325 0.583 1.00 63.05 H new ATOM 0 HD21 LEU A 58 -10.196 -2.236 -1.154 1.00 53.11 H new ATOM 0 HD22 LEU A 58 -8.578 -2.877 -1.525 1.00 53.11 H new ATOM 0 HD23 LEU A 58 -9.876 -2.983 -2.737 1.00 53.11 H new ATOM 925 N GLN A 59 -7.680 -4.001 -4.354 1.00 63.12 N ATOM 926 CA GLN A 59 -6.377 -3.640 -4.900 1.00 25.32 C ATOM 927 C GLN A 59 -6.103 -2.151 -4.715 1.00 65.45 C ATOM 928 O GLN A 59 -6.753 -1.309 -5.333 1.00 64.11 O ATOM 929 CB GLN A 59 -6.303 -4.005 -6.384 1.00 3.34 C ATOM 930 CG GLN A 59 -5.107 -3.399 -7.100 1.00 42.41 C ATOM 931 CD GLN A 59 -3.784 -3.893 -6.549 1.00 70.51 C ATOM 932 OE1 GLN A 59 -3.269 -4.927 -6.975 1.00 65.34 O ATOM 933 NE2 GLN A 59 -3.226 -3.156 -5.596 1.00 34.01 N ATOM 0 H GLN A 59 -8.362 -3.243 -4.353 1.00 63.12 H new ATOM 0 HA GLN A 59 -5.616 -4.201 -4.358 1.00 25.32 H new ATOM 0 HB2 GLN A 59 -6.263 -5.090 -6.481 1.00 3.34 H new ATOM 0 HB3 GLN A 59 -7.217 -3.674 -6.877 1.00 3.34 H new ATOM 0 HG2 GLN A 59 -5.165 -3.637 -8.162 1.00 42.41 H new ATOM 0 HG3 GLN A 59 -5.149 -2.313 -7.014 1.00 42.41 H new ATOM 0 HE21 GLN A 59 -3.688 -2.306 -5.273 1.00 34.01 H new ATOM 0 HE22 GLN A 59 -2.336 -3.440 -5.187 1.00 34.01 H new ATOM 942 N GLY A 60 -5.135 -1.834 -3.860 1.00 41.14 N ATOM 943 CA GLY A 60 -4.792 -0.446 -3.610 1.00 34.24 C ATOM 944 C GLY A 60 -3.347 -0.273 -3.187 1.00 32.15 C ATOM 945 O GLY A 60 -2.639 -1.253 -2.953 1.00 34.10 O ATOM 0 H GLY A 60 -4.583 -2.513 -3.336 1.00 41.14 H new ATOM 0 HA2 GLY A 60 -4.976 0.138 -4.511 1.00 34.24 H new ATOM 0 HA3 GLY A 60 -5.445 -0.048 -2.833 1.00 34.24 H new ATOM 949 N PHE A 61 -2.907 0.977 -3.089 1.00 25.21 N ATOM 950 CA PHE A 61 -1.535 1.275 -2.694 1.00 1.23 C ATOM 951 C PHE A 61 -1.504 2.326 -1.587 1.00 61.25 C ATOM 952 O PHE A 61 -2.281 3.280 -1.601 1.00 34.53 O ATOM 953 CB PHE A 61 -0.729 1.764 -3.899 1.00 72.23 C ATOM 954 CG PHE A 61 0.567 2.424 -3.526 1.00 42.20 C ATOM 955 CD1 PHE A 61 1.517 1.744 -2.781 1.00 11.23 C ATOM 956 CD2 PHE A 61 0.836 3.725 -3.921 1.00 23.31 C ATOM 957 CE1 PHE A 61 2.710 2.350 -2.435 1.00 61.13 C ATOM 958 CE2 PHE A 61 2.028 4.336 -3.579 1.00 21.41 C ATOM 959 CZ PHE A 61 2.967 3.647 -2.836 1.00 34.31 C ATOM 0 H PHE A 61 -3.480 1.800 -3.277 1.00 25.21 H new ATOM 0 HA PHE A 61 -1.086 0.358 -2.313 1.00 1.23 H new ATOM 0 HB2 PHE A 61 -0.521 0.918 -4.554 1.00 72.23 H new ATOM 0 HB3 PHE A 61 -1.335 2.468 -4.470 1.00 72.23 H new ATOM 0 HD1 PHE A 61 1.323 0.729 -2.467 1.00 11.23 H new ATOM 0 HD2 PHE A 61 0.106 4.268 -4.503 1.00 23.31 H new ATOM 0 HE1 PHE A 61 3.441 1.810 -1.851 1.00 61.13 H new ATOM 0 HE2 PHE A 61 2.225 5.351 -3.892 1.00 21.41 H new ATOM 0 HZ PHE A 61 3.900 4.121 -2.569 1.00 34.31 H new ATOM 969 N ALA A 62 -0.600 2.142 -0.631 1.00 1.42 N ATOM 970 CA ALA A 62 -0.466 3.074 0.482 1.00 2.02 C ATOM 971 C ALA A 62 0.999 3.401 0.751 1.00 22.44 C ATOM 972 O ALA A 62 1.819 2.504 0.944 1.00 44.14 O ATOM 973 CB ALA A 62 -1.119 2.501 1.731 1.00 10.44 C ATOM 0 H ALA A 62 0.050 1.357 -0.605 1.00 1.42 H new ATOM 0 HA ALA A 62 -0.974 4.000 0.212 1.00 2.02 H new ATOM 0 HB1 ALA A 62 -1.012 3.207 2.554 1.00 10.44 H new ATOM 0 HB2 ALA A 62 -2.178 2.325 1.540 1.00 10.44 H new ATOM 0 HB3 ALA A 62 -0.636 1.560 1.995 1.00 10.44 H new ATOM 979 N ASN A 63 1.321 4.690 0.763 1.00 52.12 N ATOM 980 CA ASN A 63 2.688 5.135 1.007 1.00 21.32 C ATOM 981 C ASN A 63 2.911 5.418 2.490 1.00 63.14 C ATOM 982 O ASN A 63 2.322 6.341 3.052 1.00 41.21 O ATOM 983 CB ASN A 63 2.993 6.389 0.185 1.00 24.43 C ATOM 984 CG ASN A 63 4.436 6.834 0.325 1.00 42.31 C ATOM 985 OD1 ASN A 63 4.851 7.310 1.382 1.00 41.01 O ATOM 986 ND2 ASN A 63 5.208 6.682 -0.745 1.00 4.13 N ATOM 0 H ASN A 63 0.654 5.445 0.607 1.00 52.12 H new ATOM 0 HA ASN A 63 3.364 4.336 0.702 1.00 21.32 H new ATOM 0 HB2 ASN A 63 2.776 6.194 -0.865 1.00 24.43 H new ATOM 0 HB3 ASN A 63 2.334 7.197 0.502 1.00 24.43 H new ATOM 0 HD21 ASN A 63 6.188 6.964 -0.711 1.00 4.13 H new ATOM 0 HD22 ASN A 63 4.821 6.283 -1.600 1.00 4.13 H new ATOM 993 N PHE A 64 3.767 4.617 3.117 1.00 13.51 N ATOM 994 CA PHE A 64 4.068 4.781 4.534 1.00 1.34 C ATOM 995 C PHE A 64 4.877 6.053 4.775 1.00 34.21 C ATOM 996 O PHE A 64 5.889 6.292 4.117 1.00 52.44 O ATOM 997 CB PHE A 64 4.838 3.567 5.057 1.00 2.05 C ATOM 998 CG PHE A 64 4.040 2.711 5.999 1.00 1.10 C ATOM 999 CD1 PHE A 64 3.773 3.140 7.289 1.00 4.32 C ATOM 1000 CD2 PHE A 64 3.556 1.478 5.594 1.00 62.32 C ATOM 1001 CE1 PHE A 64 3.040 2.354 8.158 1.00 40.33 C ATOM 1002 CE2 PHE A 64 2.822 0.687 6.458 1.00 52.41 C ATOM 1003 CZ PHE A 64 2.563 1.127 7.741 1.00 35.12 C ATOM 0 H PHE A 64 4.264 3.849 2.666 1.00 13.51 H new ATOM 0 HA PHE A 64 3.124 4.864 5.073 1.00 1.34 H new ATOM 0 HB2 PHE A 64 5.160 2.959 4.211 1.00 2.05 H new ATOM 0 HB3 PHE A 64 5.739 3.910 5.565 1.00 2.05 H new ATOM 0 HD1 PHE A 64 4.142 4.100 7.619 1.00 4.32 H new ATOM 0 HD2 PHE A 64 3.754 1.130 4.591 1.00 62.32 H new ATOM 0 HE1 PHE A 64 2.841 2.699 9.162 1.00 40.33 H new ATOM 0 HE2 PHE A 64 2.452 -0.273 6.130 1.00 52.41 H new ATOM 0 HZ PHE A 64 1.988 0.512 8.418 1.00 35.12 H new ATOM 1013 N VAL A 65 4.422 6.866 5.723 1.00 33.45 N ATOM 1014 CA VAL A 65 5.102 8.113 6.053 1.00 72.45 C ATOM 1015 C VAL A 65 6.523 7.852 6.538 1.00 21.24 C ATOM 1016 O VAL A 65 7.396 8.714 6.433 1.00 15.11 O ATOM 1017 CB VAL A 65 4.338 8.900 7.133 1.00 11.25 C ATOM 1018 CG1 VAL A 65 5.153 10.098 7.598 1.00 72.31 C ATOM 1019 CG2 VAL A 65 2.979 9.340 6.611 1.00 53.21 C ATOM 0 H VAL A 65 3.585 6.683 6.276 1.00 33.45 H new ATOM 0 HA VAL A 65 5.137 8.706 5.139 1.00 72.45 H new ATOM 0 HB VAL A 65 4.178 8.245 7.989 1.00 11.25 H new ATOM 0 HG11 VAL A 65 4.597 10.642 8.361 1.00 72.31 H new ATOM 0 HG12 VAL A 65 6.100 9.754 8.015 1.00 72.31 H new ATOM 0 HG13 VAL A 65 5.347 10.757 6.752 1.00 72.31 H new ATOM 0 HG21 VAL A 65 2.453 9.895 7.388 1.00 53.21 H new ATOM 0 HG22 VAL A 65 3.114 9.978 5.738 1.00 53.21 H new ATOM 0 HG23 VAL A 65 2.395 8.463 6.333 1.00 53.21 H new ATOM 1029 N LYS A 66 6.750 6.656 7.071 1.00 62.21 N ATOM 1030 CA LYS A 66 8.066 6.278 7.572 1.00 4.43 C ATOM 1031 C LYS A 66 8.530 4.966 6.949 1.00 63.03 C ATOM 1032 O LYS A 66 7.874 4.423 6.060 1.00 63.24 O ATOM 1033 CB LYS A 66 8.036 6.148 9.097 1.00 40.42 C ATOM 1034 CG LYS A 66 6.858 5.342 9.615 1.00 13.32 C ATOM 1035 CD LYS A 66 5.694 6.240 10.001 1.00 3.40 C ATOM 1036 CE LYS A 66 5.755 6.631 11.470 1.00 41.23 C ATOM 1037 NZ LYS A 66 4.991 7.880 11.744 1.00 72.54 N ATOM 0 H LYS A 66 6.039 5.931 7.167 1.00 62.21 H new ATOM 0 HA LYS A 66 8.771 7.061 7.294 1.00 4.43 H new ATOM 0 HB2 LYS A 66 8.961 5.679 9.432 1.00 40.42 H new ATOM 0 HB3 LYS A 66 8.006 7.144 9.538 1.00 40.42 H new ATOM 0 HG2 LYS A 66 6.535 4.635 8.851 1.00 13.32 H new ATOM 0 HG3 LYS A 66 7.169 4.756 10.480 1.00 13.32 H new ATOM 0 HD2 LYS A 66 5.706 7.138 9.384 1.00 3.40 H new ATOM 0 HD3 LYS A 66 4.754 5.726 9.799 1.00 3.40 H new ATOM 0 HE2 LYS A 66 5.355 5.820 12.079 1.00 41.23 H new ATOM 0 HE3 LYS A 66 6.795 6.769 11.766 1.00 41.23 H new ATOM 0 HZ1 LYS A 66 5.057 8.113 12.755 1.00 72.54 H new ATOM 0 HZ2 LYS A 66 5.388 8.660 11.183 1.00 72.54 H new ATOM 0 HZ3 LYS A 66 3.993 7.740 11.485 1.00 72.54 H new ATOM 1051 N LYS A 67 9.664 4.460 7.421 1.00 5.12 N ATOM 1052 CA LYS A 67 10.216 3.210 6.913 1.00 74.34 C ATOM 1053 C LYS A 67 9.655 2.016 7.680 1.00 45.31 C ATOM 1054 O LYS A 67 9.766 1.947 8.904 1.00 43.15 O ATOM 1055 CB LYS A 67 11.743 3.223 7.013 1.00 14.13 C ATOM 1056 CG LYS A 67 12.442 3.163 5.666 1.00 15.21 C ATOM 1057 CD LYS A 67 12.365 4.495 4.939 1.00 41.04 C ATOM 1058 CE LYS A 67 13.436 4.606 3.864 1.00 24.45 C ATOM 1059 NZ LYS A 67 14.539 5.519 4.273 1.00 24.11 N ATOM 0 H LYS A 67 10.220 4.897 8.156 1.00 5.12 H new ATOM 0 HA LYS A 67 9.929 3.115 5.866 1.00 74.34 H new ATOM 0 HB2 LYS A 67 12.057 4.127 7.536 1.00 14.13 H new ATOM 0 HB3 LYS A 67 12.066 2.376 7.618 1.00 14.13 H new ATOM 0 HG2 LYS A 67 13.486 2.885 5.809 1.00 15.21 H new ATOM 0 HG3 LYS A 67 11.986 2.386 5.053 1.00 15.21 H new ATOM 0 HD2 LYS A 67 11.380 4.607 4.486 1.00 41.04 H new ATOM 0 HD3 LYS A 67 12.481 5.309 5.655 1.00 41.04 H new ATOM 0 HE2 LYS A 67 13.843 3.617 3.653 1.00 24.45 H new ATOM 0 HE3 LYS A 67 12.987 4.970 2.940 1.00 24.45 H new ATOM 0 HZ1 LYS A 67 15.249 5.568 3.514 1.00 24.11 H new ATOM 0 HZ2 LYS A 67 14.155 6.469 4.450 1.00 24.11 H new ATOM 0 HZ3 LYS A 67 14.985 5.158 5.141 1.00 24.11 H new ATOM 1073 N GLN A 68 9.056 1.079 6.952 1.00 13.54 N ATOM 1074 CA GLN A 68 8.480 -0.111 7.566 1.00 35.20 C ATOM 1075 C GLN A 68 8.851 -1.363 6.779 1.00 61.43 C ATOM 1076 O GLN A 68 9.091 -1.303 5.572 1.00 31.52 O ATOM 1077 CB GLN A 68 6.958 0.019 7.652 1.00 52.04 C ATOM 1078 CG GLN A 68 6.494 1.219 8.462 1.00 65.02 C ATOM 1079 CD GLN A 68 5.446 0.856 9.495 1.00 61.01 C ATOM 1080 OE1 GLN A 68 4.766 -0.163 9.374 1.00 33.21 O ATOM 1081 NE2 GLN A 68 5.310 1.690 10.519 1.00 2.12 N ATOM 0 H GLN A 68 8.957 1.121 5.938 1.00 13.54 H new ATOM 0 HA GLN A 68 8.887 -0.203 8.573 1.00 35.20 H new ATOM 0 HB2 GLN A 68 6.551 0.092 6.644 1.00 52.04 H new ATOM 0 HB3 GLN A 68 6.549 -0.889 8.096 1.00 52.04 H new ATOM 0 HG2 GLN A 68 7.352 1.668 8.963 1.00 65.02 H new ATOM 0 HG3 GLN A 68 6.088 1.973 7.787 1.00 65.02 H new ATOM 0 HE21 GLN A 68 5.895 2.523 10.579 1.00 2.12 H new ATOM 0 HE22 GLN A 68 4.620 1.497 11.246 1.00 2.12 H new ATOM 1090 N THR A 69 8.898 -2.499 7.469 1.00 14.41 N ATOM 1091 CA THR A 69 9.242 -3.765 6.835 1.00 35.13 C ATOM 1092 C THR A 69 7.990 -4.522 6.404 1.00 44.53 C ATOM 1093 O THR A 69 6.872 -4.141 6.751 1.00 61.02 O ATOM 1094 CB THR A 69 10.068 -4.659 7.779 1.00 64.15 C ATOM 1095 OG1 THR A 69 9.211 -5.277 8.745 1.00 51.22 O ATOM 1096 CG2 THR A 69 11.141 -3.849 8.490 1.00 44.32 C ATOM 0 H THR A 69 8.702 -2.567 8.468 1.00 14.41 H new ATOM 0 HA THR A 69 9.840 -3.526 5.956 1.00 35.13 H new ATOM 0 HB THR A 69 10.554 -5.430 7.180 1.00 64.15 H new ATOM 0 HG1 THR A 69 9.184 -6.244 8.587 1.00 51.22 H new ATOM 0 HG21 THR A 69 11.711 -4.502 9.151 1.00 44.32 H new ATOM 0 HG22 THR A 69 11.810 -3.405 7.753 1.00 44.32 H new ATOM 0 HG23 THR A 69 10.672 -3.059 9.076 1.00 44.32 H new ATOM 1104 N PHE A 70 8.186 -5.595 5.645 1.00 32.24 N ATOM 1105 CA PHE A 70 7.072 -6.406 5.166 1.00 2.51 C ATOM 1106 C PHE A 70 6.300 -7.014 6.333 1.00 2.22 C ATOM 1107 O PHE A 70 5.086 -6.849 6.441 1.00 72.43 O ATOM 1108 CB PHE A 70 7.581 -7.515 4.243 1.00 2.22 C ATOM 1109 CG PHE A 70 6.627 -8.667 4.108 1.00 41.10 C ATOM 1110 CD1 PHE A 70 5.507 -8.565 3.299 1.00 51.21 C ATOM 1111 CD2 PHE A 70 6.850 -9.852 4.790 1.00 1.05 C ATOM 1112 CE1 PHE A 70 4.627 -9.623 3.172 1.00 61.20 C ATOM 1113 CE2 PHE A 70 5.974 -10.914 4.667 1.00 1.21 C ATOM 1114 CZ PHE A 70 4.861 -10.799 3.858 1.00 54.11 C ATOM 0 H PHE A 70 9.105 -5.923 5.348 1.00 32.24 H new ATOM 0 HA PHE A 70 6.398 -5.758 4.606 1.00 2.51 H new ATOM 0 HB2 PHE A 70 7.773 -7.095 3.256 1.00 2.22 H new ATOM 0 HB3 PHE A 70 8.533 -7.885 4.623 1.00 2.22 H new ATOM 0 HD1 PHE A 70 5.319 -7.648 2.761 1.00 51.21 H new ATOM 0 HD2 PHE A 70 7.718 -9.947 5.425 1.00 1.05 H new ATOM 0 HE1 PHE A 70 3.758 -9.531 2.538 1.00 61.20 H new ATOM 0 HE2 PHE A 70 6.160 -11.833 5.203 1.00 1.21 H new ATOM 0 HZ PHE A 70 4.174 -11.627 3.762 1.00 54.11 H new ATOM 1124 N ASN A 71 7.015 -7.718 7.205 1.00 50.20 N ATOM 1125 CA ASN A 71 6.398 -8.352 8.364 1.00 32.21 C ATOM 1126 C ASN A 71 5.746 -7.312 9.270 1.00 32.44 C ATOM 1127 O ASN A 71 4.642 -7.517 9.776 1.00 71.42 O ATOM 1128 CB ASN A 71 7.440 -9.149 9.151 1.00 63.01 C ATOM 1129 CG ASN A 71 6.985 -10.566 9.444 1.00 41.34 C ATOM 1130 OD1 ASN A 71 7.278 -11.492 8.688 1.00 74.24 O ATOM 1131 ND2 ASN A 71 6.265 -10.740 10.546 1.00 51.34 N ATOM 0 H ASN A 71 8.022 -7.864 7.131 1.00 50.20 H new ATOM 0 HA ASN A 71 5.625 -9.032 8.006 1.00 32.21 H new ATOM 0 HB2 ASN A 71 8.372 -9.179 8.587 1.00 63.01 H new ATOM 0 HB3 ASN A 71 7.652 -8.637 10.090 1.00 63.01 H new ATOM 0 HD21 ASN A 71 5.931 -11.671 10.795 1.00 51.34 H new ATOM 0 HD22 ASN A 71 6.046 -9.943 11.143 1.00 51.34 H new ATOM 1138 N LYS A 72 6.436 -6.195 9.472 1.00 61.03 N ATOM 1139 CA LYS A 72 5.925 -5.121 10.315 1.00 2.02 C ATOM 1140 C LYS A 72 4.662 -4.512 9.715 1.00 42.31 C ATOM 1141 O LYS A 72 3.652 -4.350 10.400 1.00 24.43 O ATOM 1142 CB LYS A 72 6.990 -4.037 10.497 1.00 22.22 C ATOM 1143 CG LYS A 72 6.851 -3.259 11.794 1.00 32.22 C ATOM 1144 CD LYS A 72 5.778 -2.188 11.689 1.00 3.13 C ATOM 1145 CE LYS A 72 5.533 -1.511 13.029 1.00 24.23 C ATOM 1146 NZ LYS A 72 6.289 -0.234 13.152 1.00 55.43 N ATOM 0 H LYS A 72 7.352 -6.010 9.063 1.00 61.03 H new ATOM 0 HA LYS A 72 5.676 -5.544 11.288 1.00 2.02 H new ATOM 0 HB2 LYS A 72 7.976 -4.500 10.465 1.00 22.22 H new ATOM 0 HB3 LYS A 72 6.936 -3.342 9.659 1.00 22.22 H new ATOM 0 HG2 LYS A 72 6.605 -3.944 12.606 1.00 32.22 H new ATOM 0 HG3 LYS A 72 7.805 -2.796 12.046 1.00 32.22 H new ATOM 0 HD2 LYS A 72 6.078 -1.442 10.953 1.00 3.13 H new ATOM 0 HD3 LYS A 72 4.850 -2.635 11.331 1.00 3.13 H new ATOM 0 HE2 LYS A 72 4.467 -1.315 13.147 1.00 24.23 H new ATOM 0 HE3 LYS A 72 5.825 -2.185 13.835 1.00 24.23 H new ATOM 0 HZ1 LYS A 72 6.480 -0.039 14.156 1.00 55.43 H new ATOM 0 HZ2 LYS A 72 7.189 -0.312 12.637 1.00 55.43 H new ATOM 0 HZ3 LYS A 72 5.726 0.543 12.750 1.00 55.43 H new ATOM 1160 N VAL A 73 4.725 -4.176 8.430 1.00 24.12 N ATOM 1161 CA VAL A 73 3.586 -3.587 7.737 1.00 71.20 C ATOM 1162 C VAL A 73 2.341 -4.453 7.892 1.00 71.33 C ATOM 1163 O VAL A 73 1.215 -3.961 7.818 1.00 11.20 O ATOM 1164 CB VAL A 73 3.880 -3.393 6.238 1.00 61.45 C ATOM 1165 CG1 VAL A 73 2.595 -3.113 5.473 1.00 62.50 C ATOM 1166 CG2 VAL A 73 4.887 -2.272 6.033 1.00 0.32 C ATOM 0 H VAL A 73 5.553 -4.302 7.848 1.00 24.12 H new ATOM 0 HA VAL A 73 3.407 -2.613 8.193 1.00 71.20 H new ATOM 0 HB VAL A 73 4.313 -4.315 5.849 1.00 61.45 H new ATOM 0 HG11 VAL A 73 2.823 -2.979 4.416 1.00 62.50 H new ATOM 0 HG12 VAL A 73 1.910 -3.952 5.593 1.00 62.50 H new ATOM 0 HG13 VAL A 73 2.130 -2.207 5.862 1.00 62.50 H new ATOM 0 HG21 VAL A 73 5.083 -2.149 4.968 1.00 0.32 H new ATOM 0 HG22 VAL A 73 4.485 -1.343 6.438 1.00 0.32 H new ATOM 0 HG23 VAL A 73 5.816 -2.519 6.546 1.00 0.32 H new ATOM 1176 N LYS A 74 2.550 -5.748 8.107 1.00 4.41 N ATOM 1177 CA LYS A 74 1.446 -6.685 8.275 1.00 52.55 C ATOM 1178 C LYS A 74 0.643 -6.360 9.530 1.00 20.44 C ATOM 1179 O LYS A 74 -0.451 -6.888 9.732 1.00 1.31 O ATOM 1180 CB LYS A 74 1.974 -8.119 8.350 1.00 53.01 C ATOM 1181 CG LYS A 74 2.804 -8.526 7.145 1.00 43.40 C ATOM 1182 CD LYS A 74 2.476 -9.938 6.692 1.00 34.32 C ATOM 1183 CE LYS A 74 1.608 -9.936 5.443 1.00 41.52 C ATOM 1184 NZ LYS A 74 1.444 -11.304 4.878 1.00 0.25 N ATOM 0 H LYS A 74 3.475 -6.172 8.169 1.00 4.41 H new ATOM 0 HA LYS A 74 0.788 -6.592 7.411 1.00 52.55 H new ATOM 0 HB2 LYS A 74 2.579 -8.228 9.250 1.00 53.01 H new ATOM 0 HB3 LYS A 74 1.131 -8.803 8.448 1.00 53.01 H new ATOM 0 HG2 LYS A 74 2.624 -7.829 6.326 1.00 43.40 H new ATOM 0 HG3 LYS A 74 3.863 -8.460 7.393 1.00 43.40 H new ATOM 0 HD2 LYS A 74 3.400 -10.481 6.493 1.00 34.32 H new ATOM 0 HD3 LYS A 74 1.961 -10.468 7.493 1.00 34.32 H new ATOM 0 HE2 LYS A 74 0.628 -9.522 5.682 1.00 41.52 H new ATOM 0 HE3 LYS A 74 2.054 -9.284 4.692 1.00 41.52 H new ATOM 0 HZ1 LYS A 74 0.846 -11.259 4.028 1.00 0.25 H new ATOM 0 HZ2 LYS A 74 2.376 -11.689 4.626 1.00 0.25 H new ATOM 0 HZ3 LYS A 74 0.995 -11.920 5.585 1.00 0.25 H new ATOM 1198 N TRP A 75 1.192 -5.490 10.370 1.00 43.04 N ATOM 1199 CA TRP A 75 0.526 -5.095 11.605 1.00 13.22 C ATOM 1200 C TRP A 75 -0.700 -4.237 11.312 1.00 11.31 C ATOM 1201 O TRP A 75 -1.595 -4.109 12.148 1.00 23.53 O ATOM 1202 CB TRP A 75 1.494 -4.331 12.509 1.00 1.45 C ATOM 1203 CG TRP A 75 1.680 -2.899 12.106 1.00 75.21 C ATOM 1204 CD1 TRP A 75 1.780 -2.413 10.834 1.00 51.33 C ATOM 1205 CD2 TRP A 75 1.789 -1.770 12.979 1.00 13.11 C ATOM 1206 NE1 TRP A 75 1.945 -1.049 10.864 1.00 51.15 N ATOM 1207 CE2 TRP A 75 1.953 -0.630 12.168 1.00 73.13 C ATOM 1208 CE3 TRP A 75 1.762 -1.610 14.367 1.00 33.11 C ATOM 1209 CZ2 TRP A 75 2.090 0.649 12.700 1.00 21.13 C ATOM 1210 CZ3 TRP A 75 1.899 -0.340 14.894 1.00 34.02 C ATOM 1211 CH2 TRP A 75 2.060 0.776 14.062 1.00 2.15 C ATOM 0 H TRP A 75 2.097 -5.045 10.218 1.00 43.04 H new ATOM 0 HA TRP A 75 0.199 -6.000 12.117 1.00 13.22 H new ATOM 0 HB2 TRP A 75 1.127 -4.367 13.535 1.00 1.45 H new ATOM 0 HB3 TRP A 75 2.462 -4.832 12.499 1.00 1.45 H new ATOM 0 HD1 TRP A 75 1.736 -3.012 9.937 1.00 51.33 H new ATOM 0 HE1 TRP A 75 2.045 -0.446 10.047 1.00 51.15 H new ATOM 0 HE3 TRP A 75 1.636 -2.464 15.016 1.00 33.11 H new ATOM 0 HZ2 TRP A 75 2.215 1.510 12.061 1.00 21.13 H new ATOM 0 HZ3 TRP A 75 1.882 -0.205 15.965 1.00 34.02 H new ATOM 0 HH2 TRP A 75 2.162 1.756 14.505 1.00 2.15 H new ATOM 1222 N TYR A 76 -0.735 -3.650 10.121 1.00 70.43 N ATOM 1223 CA TYR A 76 -1.851 -2.802 9.719 1.00 61.33 C ATOM 1224 C TYR A 76 -2.628 -3.434 8.568 1.00 14.01 C ATOM 1225 O TYR A 76 -3.853 -3.556 8.623 1.00 21.25 O ATOM 1226 CB TYR A 76 -1.345 -1.418 9.308 1.00 61.40 C ATOM 1227 CG TYR A 76 -1.560 -0.357 10.363 1.00 32.22 C ATOM 1228 CD1 TYR A 76 -2.744 -0.300 11.088 1.00 52.01 C ATOM 1229 CD2 TYR A 76 -0.579 0.588 10.636 1.00 22.12 C ATOM 1230 CE1 TYR A 76 -2.945 0.668 12.052 1.00 13.43 C ATOM 1231 CE2 TYR A 76 -0.771 1.559 11.600 1.00 43.12 C ATOM 1232 CZ TYR A 76 -1.956 1.595 12.305 1.00 43.52 C ATOM 1233 OH TYR A 76 -2.152 2.561 13.266 1.00 64.24 O ATOM 0 H TYR A 76 -0.003 -3.746 9.417 1.00 70.43 H new ATOM 0 HA TYR A 76 -2.521 -2.698 10.572 1.00 61.33 H new ATOM 0 HB2 TYR A 76 -0.281 -1.482 9.081 1.00 61.40 H new ATOM 0 HB3 TYR A 76 -1.849 -1.114 8.391 1.00 61.40 H new ATOM 0 HD1 TYR A 76 -3.520 -1.025 10.894 1.00 52.01 H new ATOM 0 HD2 TYR A 76 0.350 0.563 10.085 1.00 22.12 H new ATOM 0 HE1 TYR A 76 -3.872 0.699 12.605 1.00 13.43 H new ATOM 0 HE2 TYR A 76 0.002 2.286 11.800 1.00 43.12 H new ATOM 0 HH TYR A 76 -1.290 2.807 13.663 1.00 64.24 H new ATOM 1243 N LEU A 77 -1.908 -3.835 7.526 1.00 15.50 N ATOM 1244 CA LEU A 77 -2.529 -4.455 6.361 1.00 62.14 C ATOM 1245 C LEU A 77 -2.987 -5.875 6.679 1.00 44.12 C ATOM 1246 O LEU A 77 -3.724 -6.488 5.908 1.00 42.22 O ATOM 1247 CB LEU A 77 -1.549 -4.474 5.186 1.00 21.12 C ATOM 1248 CG LEU A 77 -1.215 -3.116 4.569 1.00 50.25 C ATOM 1249 CD1 LEU A 77 -0.024 -3.234 3.630 1.00 21.25 C ATOM 1250 CD2 LEU A 77 -2.422 -2.553 3.832 1.00 32.52 C ATOM 0 H LEU A 77 -0.894 -3.742 7.464 1.00 15.50 H new ATOM 0 HA LEU A 77 -3.403 -3.864 6.088 1.00 62.14 H new ATOM 0 HB2 LEU A 77 -0.621 -4.937 5.521 1.00 21.12 H new ATOM 0 HB3 LEU A 77 -1.961 -5.114 4.406 1.00 21.12 H new ATOM 0 HG LEU A 77 -0.952 -2.429 5.373 1.00 50.25 H new ATOM 0 HD11 LEU A 77 0.199 -2.257 3.200 1.00 21.25 H new ATOM 0 HD12 LEU A 77 0.843 -3.593 4.185 1.00 21.25 H new ATOM 0 HD13 LEU A 77 -0.259 -3.937 2.831 1.00 21.25 H new ATOM 0 HD21 LEU A 77 -2.166 -1.586 3.399 1.00 32.52 H new ATOM 0 HD22 LEU A 77 -2.716 -3.239 3.038 1.00 32.52 H new ATOM 0 HD23 LEU A 77 -3.250 -2.430 4.530 1.00 32.52 H new ATOM 1262 N GLY A 78 -2.546 -6.392 7.822 1.00 44.51 N ATOM 1263 CA GLY A 78 -2.922 -7.734 8.223 1.00 21.41 C ATOM 1264 C GLY A 78 -2.326 -8.797 7.322 1.00 63.33 C ATOM 1265 O GLY A 78 -2.008 -8.531 6.163 1.00 75.31 O ATOM 0 H GLY A 78 -1.935 -5.905 8.477 1.00 44.51 H new ATOM 0 HA2 GLY A 78 -2.597 -7.908 9.249 1.00 21.41 H new ATOM 0 HA3 GLY A 78 -4.008 -7.822 8.214 1.00 21.41 H new ATOM 1269 N ALA A 79 -2.171 -10.005 7.855 1.00 14.32 N ATOM 1270 CA ALA A 79 -1.609 -11.111 7.091 1.00 75.41 C ATOM 1271 C ALA A 79 -2.626 -11.665 6.098 1.00 32.45 C ATOM 1272 O ALA A 79 -2.259 -12.197 5.051 1.00 62.32 O ATOM 1273 CB ALA A 79 -1.131 -12.210 8.028 1.00 64.52 C ATOM 0 H ALA A 79 -2.427 -10.242 8.813 1.00 14.32 H new ATOM 0 HA ALA A 79 -0.757 -10.734 6.526 1.00 75.41 H new ATOM 0 HB1 ALA A 79 -0.713 -13.030 7.444 1.00 64.52 H new ATOM 0 HB2 ALA A 79 -0.365 -11.813 8.694 1.00 64.52 H new ATOM 0 HB3 ALA A 79 -1.971 -12.576 8.618 1.00 64.52 H new ATOM 1279 N ARG A 80 -3.905 -11.538 6.436 1.00 54.34 N ATOM 1280 CA ARG A 80 -4.975 -12.028 5.575 1.00 40.45 C ATOM 1281 C ARG A 80 -4.836 -11.467 4.162 1.00 1.33 C ATOM 1282 O ARG A 80 -5.032 -12.181 3.178 1.00 3.21 O ATOM 1283 CB ARG A 80 -6.339 -11.648 6.154 1.00 51.15 C ATOM 1284 CG ARG A 80 -6.493 -10.160 6.423 1.00 34.14 C ATOM 1285 CD ARG A 80 -7.193 -9.904 7.749 1.00 25.04 C ATOM 1286 NE ARG A 80 -8.567 -10.396 7.747 1.00 35.32 N ATOM 1287 CZ ARG A 80 -9.289 -10.567 8.850 1.00 42.34 C ATOM 1288 NH1 ARG A 80 -8.769 -10.286 10.036 1.00 4.53 N ATOM 1289 NH2 ARG A 80 -10.534 -11.019 8.766 1.00 5.22 N ATOM 0 H ARG A 80 -4.226 -11.100 7.300 1.00 54.34 H new ATOM 0 HA ARG A 80 -4.899 -13.114 5.525 1.00 40.45 H new ATOM 0 HB2 ARG A 80 -7.119 -11.966 5.463 1.00 51.15 H new ATOM 0 HB3 ARG A 80 -6.495 -12.195 7.084 1.00 51.15 H new ATOM 0 HG2 ARG A 80 -5.511 -9.687 6.431 1.00 34.14 H new ATOM 0 HG3 ARG A 80 -7.062 -9.700 5.615 1.00 34.14 H new ATOM 0 HD2 ARG A 80 -6.636 -10.387 8.552 1.00 25.04 H new ATOM 0 HD3 ARG A 80 -7.191 -8.834 7.959 1.00 25.04 H new ATOM 0 HE ARG A 80 -8.997 -10.621 6.850 1.00 35.32 H new ATOM 0 HH11 ARG A 80 -7.813 -9.938 10.104 1.00 4.53 H new ATOM 0 HH12 ARG A 80 -9.325 -10.418 10.881 1.00 4.53 H new ATOM 0 HH21 ARG A 80 -10.938 -11.235 7.855 1.00 5.22 H new ATOM 0 HH22 ARG A 80 -11.087 -11.150 9.613 1.00 5.22 H new ATOM 1303 N CYS A 81 -4.498 -10.185 4.071 1.00 62.41 N ATOM 1304 CA CYS A 81 -4.334 -9.528 2.779 1.00 21.12 C ATOM 1305 C CYS A 81 -2.883 -9.598 2.314 1.00 51.02 C ATOM 1306 O CYS A 81 -1.961 -9.296 3.073 1.00 73.15 O ATOM 1307 CB CYS A 81 -4.785 -8.069 2.865 1.00 61.30 C ATOM 1308 SG CYS A 81 -6.383 -7.837 3.679 1.00 23.41 S ATOM 0 H CYS A 81 -4.332 -9.581 4.876 1.00 62.41 H new ATOM 0 HA CYS A 81 -4.955 -10.051 2.052 1.00 21.12 H new ATOM 0 HB2 CYS A 81 -4.029 -7.497 3.403 1.00 61.30 H new ATOM 0 HB3 CYS A 81 -4.839 -7.657 1.857 1.00 61.30 H new ATOM 0 HG CYS A 81 -6.193 -7.434 4.900 1.00 23.41 H new ATOM 1314 N HIS A 82 -2.687 -10.000 1.062 1.00 53.32 N ATOM 1315 CA HIS A 82 -1.348 -10.111 0.495 1.00 1.41 C ATOM 1316 C HIS A 82 -0.761 -8.731 0.214 1.00 2.43 C ATOM 1317 O HIS A 82 -1.376 -7.911 -0.468 1.00 73.13 O ATOM 1318 CB HIS A 82 -1.383 -10.935 -0.792 1.00 45.54 C ATOM 1319 CG HIS A 82 -0.049 -11.496 -1.180 1.00 53.34 C ATOM 1320 ND1 HIS A 82 0.612 -12.449 -0.435 1.00 10.22 N ATOM 1321 CD2 HIS A 82 0.746 -11.234 -2.244 1.00 72.12 C ATOM 1322 CE1 HIS A 82 1.757 -12.748 -1.022 1.00 51.23 C ATOM 1323 NE2 HIS A 82 1.862 -12.025 -2.123 1.00 11.34 N ATOM 0 H HIS A 82 -3.439 -10.254 0.421 1.00 53.32 H new ATOM 0 HA HIS A 82 -0.713 -10.615 1.223 1.00 1.41 H new ATOM 0 HB2 HIS A 82 -2.091 -11.755 -0.670 1.00 45.54 H new ATOM 0 HB3 HIS A 82 -1.755 -10.310 -1.604 1.00 45.54 H new ATOM 0 HD2 HIS A 82 0.541 -10.533 -3.040 1.00 72.12 H new ATOM 0 HE1 HIS A 82 2.484 -13.462 -0.663 1.00 51.23 H new ATOM 0 HE2 HIS A 82 2.645 -12.050 -2.777 1.00 11.34 H new ATOM 1331 N ILE A 83 0.431 -8.481 0.745 1.00 2.14 N ATOM 1332 CA ILE A 83 1.100 -7.201 0.551 1.00 4.42 C ATOM 1333 C ILE A 83 2.401 -7.372 -0.226 1.00 71.44 C ATOM 1334 O ILE A 83 3.079 -8.391 -0.102 1.00 63.40 O ATOM 1335 CB ILE A 83 1.406 -6.516 1.896 1.00 4.43 C ATOM 1336 CG1 ILE A 83 2.364 -7.374 2.725 1.00 64.25 C ATOM 1337 CG2 ILE A 83 0.119 -6.258 2.664 1.00 14.14 C ATOM 1338 CD1 ILE A 83 2.817 -6.710 4.006 1.00 51.00 C ATOM 0 H ILE A 83 0.953 -9.148 1.313 1.00 2.14 H new ATOM 0 HA ILE A 83 0.417 -6.573 -0.021 1.00 4.42 H new ATOM 0 HB ILE A 83 1.886 -5.558 1.697 1.00 4.43 H new ATOM 0 HG12 ILE A 83 1.876 -8.318 2.968 1.00 64.25 H new ATOM 0 HG13 ILE A 83 3.239 -7.614 2.121 1.00 64.25 H new ATOM 0 HG21 ILE A 83 0.352 -5.774 3.612 1.00 14.14 H new ATOM 0 HG22 ILE A 83 -0.532 -5.611 2.076 1.00 14.14 H new ATOM 0 HG23 ILE A 83 -0.387 -7.204 2.855 1.00 14.14 H new ATOM 0 HD11 ILE A 83 3.494 -7.376 4.542 1.00 51.00 H new ATOM 0 HD12 ILE A 83 3.334 -5.780 3.771 1.00 51.00 H new ATOM 0 HD13 ILE A 83 1.950 -6.495 4.631 1.00 51.00 H new ATOM 1350 N GLU A 84 2.743 -6.368 -1.027 1.00 14.30 N ATOM 1351 CA GLU A 84 3.963 -6.408 -1.824 1.00 10.10 C ATOM 1352 C GLU A 84 4.525 -5.004 -2.029 1.00 62.35 C ATOM 1353 O GLU A 84 3.836 -4.008 -1.809 1.00 31.22 O ATOM 1354 CB GLU A 84 3.692 -7.064 -3.179 1.00 71.14 C ATOM 1355 CG GLU A 84 4.360 -8.419 -3.344 1.00 42.34 C ATOM 1356 CD GLU A 84 4.479 -8.837 -4.797 1.00 23.40 C ATOM 1357 OE1 GLU A 84 4.067 -8.053 -5.677 1.00 23.02 O ATOM 1358 OE2 GLU A 84 4.985 -9.950 -5.053 1.00 63.14 O ATOM 0 H GLU A 84 2.192 -5.517 -1.141 1.00 14.30 H new ATOM 0 HA GLU A 84 4.701 -7.000 -1.283 1.00 10.10 H new ATOM 0 HB2 GLU A 84 2.616 -7.181 -3.308 1.00 71.14 H new ATOM 0 HB3 GLU A 84 4.038 -6.399 -3.971 1.00 71.14 H new ATOM 0 HG2 GLU A 84 5.353 -8.387 -2.896 1.00 42.34 H new ATOM 0 HG3 GLU A 84 3.789 -9.170 -2.799 1.00 42.34 H new ATOM 1365 N LYS A 85 5.783 -4.933 -2.453 1.00 75.21 N ATOM 1366 CA LYS A 85 6.439 -3.653 -2.690 1.00 25.23 C ATOM 1367 C LYS A 85 5.960 -3.029 -3.997 1.00 25.14 C ATOM 1368 O LYS A 85 5.900 -3.697 -5.029 1.00 0.25 O ATOM 1369 CB LYS A 85 7.959 -3.835 -2.726 1.00 35.22 C ATOM 1370 CG LYS A 85 8.550 -4.273 -1.397 1.00 44.32 C ATOM 1371 CD LYS A 85 10.067 -4.352 -1.461 1.00 55.41 C ATOM 1372 CE LYS A 85 10.555 -5.787 -1.345 1.00 23.22 C ATOM 1373 NZ LYS A 85 11.939 -5.946 -1.871 1.00 24.32 N ATOM 0 H LYS A 85 6.368 -5.747 -2.639 1.00 75.21 H new ATOM 0 HA LYS A 85 6.178 -2.982 -1.871 1.00 25.23 H new ATOM 0 HB2 LYS A 85 8.210 -4.574 -3.487 1.00 35.22 H new ATOM 0 HB3 LYS A 85 8.422 -2.896 -3.028 1.00 35.22 H new ATOM 0 HG2 LYS A 85 8.254 -3.572 -0.617 1.00 44.32 H new ATOM 0 HG3 LYS A 85 8.145 -5.247 -1.121 1.00 44.32 H new ATOM 0 HD2 LYS A 85 10.416 -3.923 -2.400 1.00 55.41 H new ATOM 0 HD3 LYS A 85 10.498 -3.754 -0.658 1.00 55.41 H new ATOM 0 HE2 LYS A 85 10.525 -6.097 -0.301 1.00 23.22 H new ATOM 0 HE3 LYS A 85 9.880 -6.445 -1.892 1.00 23.22 H new ATOM 0 HZ1 LYS A 85 12.235 -6.938 -1.774 1.00 24.32 H new ATOM 0 HZ2 LYS A 85 11.962 -5.674 -2.875 1.00 24.32 H new ATOM 0 HZ3 LYS A 85 12.587 -5.337 -1.332 1.00 24.32 H new ATOM 1387 N ALA A 86 5.622 -1.745 -3.945 1.00 5.12 N ATOM 1388 CA ALA A 86 5.153 -1.030 -5.125 1.00 74.53 C ATOM 1389 C ALA A 86 6.318 -0.423 -5.899 1.00 55.40 C ATOM 1390 O ALA A 86 7.397 -0.205 -5.348 1.00 32.23 O ATOM 1391 CB ALA A 86 4.159 0.051 -4.727 1.00 43.10 C ATOM 0 H ALA A 86 5.664 -1.179 -3.098 1.00 5.12 H new ATOM 0 HA ALA A 86 4.652 -1.745 -5.777 1.00 74.53 H new ATOM 0 HB1 ALA A 86 3.817 0.577 -5.618 1.00 43.10 H new ATOM 0 HB2 ALA A 86 3.306 -0.406 -4.226 1.00 43.10 H new ATOM 0 HB3 ALA A 86 4.641 0.758 -4.051 1.00 43.10 H new ATOM 1397 N LYS A 87 6.093 -0.150 -7.180 1.00 61.50 N ATOM 1398 CA LYS A 87 7.123 0.433 -8.031 1.00 5.13 C ATOM 1399 C LYS A 87 6.532 1.496 -8.951 1.00 12.34 C ATOM 1400 O LYS A 87 5.413 1.354 -9.441 1.00 74.40 O ATOM 1401 CB LYS A 87 7.803 -0.656 -8.864 1.00 3.03 C ATOM 1402 CG LYS A 87 6.941 -1.181 -9.998 1.00 61.05 C ATOM 1403 CD LYS A 87 6.963 -2.699 -10.059 1.00 60.21 C ATOM 1404 CE LYS A 87 5.676 -3.297 -9.513 1.00 32.52 C ATOM 1405 NZ LYS A 87 4.574 -3.251 -10.514 1.00 22.32 N ATOM 0 H LYS A 87 5.205 -0.324 -7.652 1.00 61.50 H new ATOM 0 HA LYS A 87 7.865 0.906 -7.387 1.00 5.13 H new ATOM 0 HB2 LYS A 87 8.730 -0.260 -9.277 1.00 3.03 H new ATOM 0 HB3 LYS A 87 8.074 -1.485 -8.211 1.00 3.03 H new ATOM 0 HG2 LYS A 87 5.915 -0.836 -9.866 1.00 61.05 H new ATOM 0 HG3 LYS A 87 7.295 -0.773 -10.945 1.00 61.05 H new ATOM 0 HD2 LYS A 87 7.106 -3.021 -11.091 1.00 60.21 H new ATOM 0 HD3 LYS A 87 7.811 -3.075 -9.487 1.00 60.21 H new ATOM 0 HE2 LYS A 87 5.853 -4.331 -9.216 1.00 32.52 H new ATOM 0 HE3 LYS A 87 5.375 -2.755 -8.617 1.00 32.52 H new ATOM 0 HZ1 LYS A 87 3.714 -3.668 -10.103 1.00 22.32 H new ATOM 0 HZ2 LYS A 87 4.387 -2.263 -10.779 1.00 22.32 H new ATOM 0 HZ3 LYS A 87 4.850 -3.790 -11.359 1.00 22.32 H new ATOM 1419 N GLY A 88 7.292 2.563 -9.181 1.00 61.44 N ATOM 1420 CA GLY A 88 6.826 3.633 -10.043 1.00 42.31 C ATOM 1421 C GLY A 88 6.602 4.929 -9.289 1.00 23.24 C ATOM 1422 O GLY A 88 7.123 5.114 -8.188 1.00 62.01 O ATOM 0 H GLY A 88 8.222 2.705 -8.786 1.00 61.44 H new ATOM 0 HA2 GLY A 88 7.554 3.799 -10.837 1.00 42.31 H new ATOM 0 HA3 GLY A 88 5.895 3.330 -10.523 1.00 42.31 H new ATOM 1426 N THR A 89 5.826 5.831 -9.881 1.00 71.35 N ATOM 1427 CA THR A 89 5.537 7.117 -9.260 1.00 74.20 C ATOM 1428 C THR A 89 4.108 7.162 -8.729 1.00 24.11 C ATOM 1429 O THR A 89 3.326 6.236 -8.945 1.00 41.22 O ATOM 1430 CB THR A 89 5.741 8.278 -10.251 1.00 54.21 C ATOM 1431 OG1 THR A 89 4.663 8.313 -11.193 1.00 53.41 O ATOM 1432 CG2 THR A 89 7.062 8.133 -10.990 1.00 62.03 C ATOM 0 H THR A 89 5.386 5.694 -10.791 1.00 71.35 H new ATOM 0 HA THR A 89 6.234 7.231 -8.430 1.00 74.20 H new ATOM 0 HB THR A 89 5.760 9.210 -9.686 1.00 54.21 H new ATOM 0 HG1 THR A 89 4.799 9.055 -11.819 1.00 53.41 H new ATOM 0 HG21 THR A 89 7.184 8.965 -11.684 1.00 62.03 H new ATOM 0 HG22 THR A 89 7.883 8.136 -10.273 1.00 62.03 H new ATOM 0 HG23 THR A 89 7.068 7.194 -11.544 1.00 62.03 H new ATOM 1440 N ASP A 90 3.775 8.244 -8.034 1.00 33.30 N ATOM 1441 CA ASP A 90 2.439 8.410 -7.473 1.00 52.22 C ATOM 1442 C ASP A 90 1.377 8.326 -8.565 1.00 73.00 C ATOM 1443 O ASP A 90 0.305 7.758 -8.358 1.00 60.52 O ATOM 1444 CB ASP A 90 2.332 9.750 -6.743 1.00 63.11 C ATOM 1445 CG ASP A 90 2.319 10.929 -7.696 1.00 11.01 C ATOM 1446 OD1 ASP A 90 3.344 11.158 -8.372 1.00 71.52 O ATOM 1447 OD2 ASP A 90 1.283 11.623 -7.766 1.00 62.10 O ATOM 0 H ASP A 90 4.411 9.019 -7.846 1.00 33.30 H new ATOM 0 HA ASP A 90 2.268 7.602 -6.761 1.00 52.22 H new ATOM 0 HB2 ASP A 90 1.422 9.762 -6.143 1.00 63.11 H new ATOM 0 HB3 ASP A 90 3.170 9.853 -6.054 1.00 63.11 H new ATOM 1452 N GLN A 91 1.682 8.896 -9.726 1.00 3.40 N ATOM 1453 CA GLN A 91 0.753 8.887 -10.849 1.00 74.13 C ATOM 1454 C GLN A 91 0.554 7.471 -11.380 1.00 22.23 C ATOM 1455 O GLN A 91 -0.543 7.104 -11.800 1.00 43.33 O ATOM 1456 CB GLN A 91 1.263 9.797 -11.968 1.00 74.43 C ATOM 1457 CG GLN A 91 0.233 10.061 -13.055 1.00 34.34 C ATOM 1458 CD GLN A 91 -0.910 10.934 -12.575 1.00 74.33 C ATOM 1459 OE1 GLN A 91 -0.894 12.152 -12.754 1.00 61.24 O ATOM 1460 NE2 GLN A 91 -1.912 10.314 -11.962 1.00 1.03 N ATOM 0 H GLN A 91 2.566 9.370 -9.913 1.00 3.40 H new ATOM 0 HA GLN A 91 -0.208 9.261 -10.496 1.00 74.13 H new ATOM 0 HB2 GLN A 91 1.576 10.748 -11.537 1.00 74.43 H new ATOM 0 HB3 GLN A 91 2.147 9.345 -12.418 1.00 74.43 H new ATOM 0 HG2 GLN A 91 0.720 10.541 -13.904 1.00 34.34 H new ATOM 0 HG3 GLN A 91 -0.165 9.111 -13.412 1.00 34.34 H new ATOM 0 HE21 GLN A 91 -1.884 9.302 -11.835 1.00 1.03 H new ATOM 0 HE22 GLN A 91 -2.709 10.850 -11.618 1.00 1.03 H new ATOM 1469 N GLN A 92 1.622 6.680 -11.357 1.00 5.44 N ATOM 1470 CA GLN A 92 1.565 5.305 -11.837 1.00 32.24 C ATOM 1471 C GLN A 92 0.726 4.437 -10.903 1.00 44.44 C ATOM 1472 O GLN A 92 -0.007 3.557 -11.351 1.00 14.31 O ATOM 1473 CB GLN A 92 2.975 4.726 -11.960 1.00 63.03 C ATOM 1474 CG GLN A 92 3.594 4.919 -13.336 1.00 34.24 C ATOM 1475 CD GLN A 92 4.334 3.688 -13.820 1.00 43.02 C ATOM 1476 OE1 GLN A 92 3.728 2.743 -14.325 1.00 74.02 O ATOM 1477 NE2 GLN A 92 5.654 3.693 -13.669 1.00 75.11 N ATOM 0 H GLN A 92 2.537 6.968 -11.011 1.00 5.44 H new ATOM 0 HA GLN A 92 1.095 5.309 -12.820 1.00 32.24 H new ATOM 0 HB2 GLN A 92 3.617 5.193 -11.213 1.00 63.03 H new ATOM 0 HB3 GLN A 92 2.943 3.661 -11.731 1.00 63.03 H new ATOM 0 HG2 GLN A 92 2.811 5.172 -14.051 1.00 34.24 H new ATOM 0 HG3 GLN A 92 4.282 5.764 -13.305 1.00 34.24 H new ATOM 0 HE21 GLN A 92 6.116 4.498 -13.245 1.00 75.11 H new ATOM 0 HE22 GLN A 92 6.206 2.892 -13.977 1.00 75.11 H new ATOM 1486 N ASN A 93 0.842 4.692 -9.604 1.00 55.21 N ATOM 1487 CA ASN A 93 0.095 3.934 -8.607 1.00 75.44 C ATOM 1488 C ASN A 93 -1.348 4.423 -8.520 1.00 3.35 C ATOM 1489 O ASN A 93 -2.278 3.629 -8.377 1.00 65.11 O ATOM 1490 CB ASN A 93 0.768 4.048 -7.238 1.00 42.44 C ATOM 1491 CG ASN A 93 1.995 3.165 -7.122 1.00 31.52 C ATOM 1492 OD1 ASN A 93 2.873 3.237 -8.116 1.00 44.12 O flip ATOM 1493 ND2 ASN A 93 2.151 2.426 -6.149 1.00 34.52 N flip ATOM 0 H ASN A 93 1.446 5.417 -9.217 1.00 55.21 H new ATOM 0 HA ASN A 93 0.087 2.888 -8.914 1.00 75.44 H new ATOM 0 HB2 ASN A 93 1.052 5.085 -7.061 1.00 42.44 H new ATOM 0 HB3 ASN A 93 0.053 3.776 -6.461 1.00 42.44 H new ATOM 0 HD21 ASN A 93 1.450 2.403 -5.408 1.00 34.52 H new ATOM 0 HD22 ASN A 93 2.981 1.837 -6.084 1.00 34.52 H new ATOM 1500 N LYS A 94 -1.527 5.737 -8.606 1.00 1.00 N ATOM 1501 CA LYS A 94 -2.855 6.335 -8.538 1.00 72.34 C ATOM 1502 C LYS A 94 -3.730 5.847 -9.688 1.00 74.44 C ATOM 1503 O LYS A 94 -4.878 5.453 -9.482 1.00 40.34 O ATOM 1504 CB LYS A 94 -2.752 7.861 -8.574 1.00 15.21 C ATOM 1505 CG LYS A 94 -4.050 8.566 -8.218 1.00 3.43 C ATOM 1506 CD LYS A 94 -4.247 9.824 -9.048 1.00 21.22 C ATOM 1507 CE LYS A 94 -5.710 10.237 -9.094 1.00 40.14 C ATOM 1508 NZ LYS A 94 -5.925 11.585 -8.499 1.00 22.25 N ATOM 0 H LYS A 94 -0.768 6.408 -8.723 1.00 1.00 H new ATOM 0 HA LYS A 94 -3.316 6.030 -7.599 1.00 72.34 H new ATOM 0 HB2 LYS A 94 -1.973 8.181 -7.882 1.00 15.21 H new ATOM 0 HB3 LYS A 94 -2.440 8.173 -9.571 1.00 15.21 H new ATOM 0 HG2 LYS A 94 -4.889 7.889 -8.378 1.00 3.43 H new ATOM 0 HG3 LYS A 94 -4.046 8.824 -7.159 1.00 3.43 H new ATOM 0 HD2 LYS A 94 -3.652 10.635 -8.628 1.00 21.22 H new ATOM 0 HD3 LYS A 94 -3.884 9.653 -10.061 1.00 21.22 H new ATOM 0 HE2 LYS A 94 -6.055 10.237 -10.128 1.00 40.14 H new ATOM 0 HE3 LYS A 94 -6.312 9.503 -8.558 1.00 40.14 H new ATOM 0 HZ1 LYS A 94 -6.935 11.830 -8.550 1.00 22.25 H new ATOM 0 HZ2 LYS A 94 -5.620 11.578 -7.505 1.00 22.25 H new ATOM 0 HZ3 LYS A 94 -5.371 12.290 -9.027 1.00 22.25 H new ATOM 1522 N GLU A 95 -3.180 5.874 -10.898 1.00 40.02 N ATOM 1523 CA GLU A 95 -3.912 5.433 -12.080 1.00 1.41 C ATOM 1524 C GLU A 95 -4.092 3.918 -12.074 1.00 53.14 C ATOM 1525 O GLU A 95 -5.123 3.403 -12.508 1.00 52.32 O ATOM 1526 CB GLU A 95 -3.179 5.866 -13.352 1.00 13.24 C ATOM 1527 CG GLU A 95 -4.110 6.291 -14.475 1.00 63.03 C ATOM 1528 CD GLU A 95 -3.415 6.336 -15.822 1.00 41.33 C ATOM 1529 OE1 GLU A 95 -2.167 6.353 -15.846 1.00 44.04 O ATOM 1530 OE2 GLU A 95 -4.120 6.355 -16.853 1.00 35.23 O ATOM 0 H GLU A 95 -2.231 6.196 -11.086 1.00 40.02 H new ATOM 0 HA GLU A 95 -4.897 5.899 -12.061 1.00 1.41 H new ATOM 0 HB2 GLU A 95 -2.511 6.693 -13.113 1.00 13.24 H new ATOM 0 HB3 GLU A 95 -2.555 5.043 -13.700 1.00 13.24 H new ATOM 0 HG2 GLU A 95 -4.951 5.599 -14.527 1.00 63.03 H new ATOM 0 HG3 GLU A 95 -4.521 7.275 -14.249 1.00 63.03 H new ATOM 1537 N TYR A 96 -3.083 3.210 -11.581 1.00 44.00 N ATOM 1538 CA TYR A 96 -3.127 1.754 -11.522 1.00 35.25 C ATOM 1539 C TYR A 96 -4.318 1.279 -10.694 1.00 24.24 C ATOM 1540 O TYR A 96 -5.045 0.370 -11.096 1.00 24.42 O ATOM 1541 CB TYR A 96 -1.828 1.206 -10.928 1.00 52.52 C ATOM 1542 CG TYR A 96 -1.843 -0.291 -10.716 1.00 42.52 C ATOM 1543 CD1 TYR A 96 -2.323 -0.840 -9.533 1.00 44.53 C ATOM 1544 CD2 TYR A 96 -1.376 -1.156 -11.698 1.00 11.21 C ATOM 1545 CE1 TYR A 96 -2.337 -2.207 -9.335 1.00 14.43 C ATOM 1546 CE2 TYR A 96 -1.388 -2.524 -11.509 1.00 34.14 C ATOM 1547 CZ TYR A 96 -1.870 -3.045 -10.325 1.00 43.44 C ATOM 1548 OH TYR A 96 -1.882 -4.407 -10.132 1.00 73.14 O ATOM 0 H TYR A 96 -2.224 3.621 -11.216 1.00 44.00 H new ATOM 0 HA TYR A 96 -3.240 1.378 -12.539 1.00 35.25 H new ATOM 0 HB2 TYR A 96 -1.000 1.463 -11.588 1.00 52.52 H new ATOM 0 HB3 TYR A 96 -1.639 1.698 -9.974 1.00 52.52 H new ATOM 0 HD1 TYR A 96 -2.691 -0.187 -8.756 1.00 44.53 H new ATOM 0 HD2 TYR A 96 -0.997 -0.752 -12.625 1.00 11.21 H new ATOM 0 HE1 TYR A 96 -2.712 -2.617 -8.409 1.00 14.43 H new ATOM 0 HE2 TYR A 96 -1.022 -3.182 -12.283 1.00 34.14 H new ATOM 0 HH TYR A 96 -1.520 -4.853 -10.926 1.00 73.14 H new ATOM 1558 N CYS A 97 -4.510 1.901 -9.536 1.00 31.12 N ATOM 1559 CA CYS A 97 -5.612 1.543 -8.649 1.00 62.24 C ATOM 1560 C CYS A 97 -6.953 1.925 -9.267 1.00 61.02 C ATOM 1561 O CYS A 97 -7.952 1.230 -9.085 1.00 72.54 O ATOM 1562 CB CYS A 97 -5.447 2.230 -7.293 1.00 42.43 C ATOM 1563 SG CYS A 97 -3.899 1.833 -6.448 1.00 21.14 S ATOM 0 H CYS A 97 -3.917 2.655 -9.189 1.00 31.12 H new ATOM 0 HA CYS A 97 -5.594 0.463 -8.505 1.00 62.24 H new ATOM 0 HB2 CYS A 97 -5.504 3.309 -7.435 1.00 42.43 H new ATOM 0 HB3 CYS A 97 -6.282 1.948 -6.651 1.00 42.43 H new ATOM 0 HG CYS A 97 -2.916 2.455 -7.028 1.00 21.14 H new ATOM 1569 N SER A 98 -6.967 3.036 -9.997 1.00 33.11 N ATOM 1570 CA SER A 98 -8.187 3.514 -10.637 1.00 71.03 C ATOM 1571 C SER A 98 -8.466 2.739 -11.922 1.00 1.33 C ATOM 1572 O SER A 98 -9.557 2.821 -12.486 1.00 34.54 O ATOM 1573 CB SER A 98 -8.075 5.009 -10.944 1.00 31.31 C ATOM 1574 OG SER A 98 -9.334 5.552 -11.300 1.00 74.12 O ATOM 0 H SER A 98 -6.148 3.622 -10.160 1.00 33.11 H new ATOM 0 HA SER A 98 -9.016 3.353 -9.948 1.00 71.03 H new ATOM 0 HB2 SER A 98 -7.682 5.534 -10.073 1.00 31.31 H new ATOM 0 HB3 SER A 98 -7.365 5.164 -11.757 1.00 31.31 H new ATOM 0 HG SER A 98 -9.873 4.865 -11.744 1.00 74.12 H new ATOM 1580 N LYS A 99 -7.471 1.987 -12.379 1.00 44.34 N ATOM 1581 CA LYS A 99 -7.606 1.196 -13.596 1.00 73.24 C ATOM 1582 C LYS A 99 -8.784 0.233 -13.491 1.00 35.24 C ATOM 1583 O LYS A 99 -9.337 -0.199 -14.502 1.00 23.12 O ATOM 1584 CB LYS A 99 -6.318 0.415 -13.868 1.00 34.25 C ATOM 1585 CG LYS A 99 -6.377 -0.438 -15.123 1.00 71.00 C ATOM 1586 CD LYS A 99 -5.137 -1.304 -15.267 1.00 60.13 C ATOM 1587 CE LYS A 99 -5.025 -2.311 -14.133 1.00 10.23 C ATOM 1588 NZ LYS A 99 -4.676 -3.670 -14.630 1.00 33.51 N ATOM 0 H LYS A 99 -6.561 1.909 -11.924 1.00 44.34 H new ATOM 0 HA LYS A 99 -7.791 1.880 -14.425 1.00 73.24 H new ATOM 0 HB2 LYS A 99 -5.489 1.117 -13.955 1.00 34.25 H new ATOM 0 HB3 LYS A 99 -6.104 -0.226 -13.013 1.00 34.25 H new ATOM 0 HG2 LYS A 99 -7.263 -1.072 -15.092 1.00 71.00 H new ATOM 0 HG3 LYS A 99 -6.476 0.206 -15.997 1.00 71.00 H new ATOM 0 HD2 LYS A 99 -5.169 -1.831 -16.221 1.00 60.13 H new ATOM 0 HD3 LYS A 99 -4.250 -0.671 -15.282 1.00 60.13 H new ATOM 0 HE2 LYS A 99 -4.266 -1.977 -13.425 1.00 10.23 H new ATOM 0 HE3 LYS A 99 -5.970 -2.354 -13.591 1.00 10.23 H new ATOM 0 HZ1 LYS A 99 -4.609 -4.327 -13.827 1.00 33.51 H new ATOM 0 HZ2 LYS A 99 -5.413 -3.999 -15.286 1.00 33.51 H new ATOM 0 HZ3 LYS A 99 -3.762 -3.634 -15.125 1.00 33.51 H new ATOM 1602 N GLU A 100 -9.164 -0.098 -12.260 1.00 53.33 N ATOM 1603 CA GLU A 100 -10.278 -1.009 -12.024 1.00 62.23 C ATOM 1604 C GLU A 100 -11.610 -0.333 -12.336 1.00 62.10 C ATOM 1605 O GLU A 100 -12.617 -1.000 -12.570 1.00 40.43 O ATOM 1606 CB GLU A 100 -10.268 -1.497 -10.574 1.00 11.10 C ATOM 1607 CG GLU A 100 -9.143 -2.471 -10.267 1.00 3.42 C ATOM 1608 CD GLU A 100 -7.779 -1.807 -10.271 1.00 54.33 C ATOM 1609 OE1 GLU A 100 -7.349 -1.326 -9.202 1.00 73.21 O ATOM 1610 OE2 GLU A 100 -7.143 -1.768 -11.345 1.00 64.11 O ATOM 0 H GLU A 100 -8.717 0.251 -11.412 1.00 53.33 H new ATOM 0 HA GLU A 100 -10.161 -1.865 -12.689 1.00 62.23 H new ATOM 0 HB2 GLU A 100 -10.183 -0.636 -9.911 1.00 11.10 H new ATOM 0 HB3 GLU A 100 -11.222 -1.976 -10.354 1.00 11.10 H new ATOM 0 HG2 GLU A 100 -9.318 -2.927 -9.293 1.00 3.42 H new ATOM 0 HG3 GLU A 100 -9.153 -3.276 -11.002 1.00 3.42 H new ATOM 1617 N GLY A 101 -11.606 0.997 -12.336 1.00 73.42 N ATOM 1618 CA GLY A 101 -12.819 1.742 -12.619 1.00 71.44 C ATOM 1619 C GLY A 101 -13.649 1.993 -11.376 1.00 5.41 C ATOM 1620 O GLY A 101 -14.681 2.660 -11.435 1.00 4.22 O ATOM 0 H GLY A 101 -10.785 1.571 -12.145 1.00 73.42 H new ATOM 0 HA2 GLY A 101 -12.557 2.696 -13.076 1.00 71.44 H new ATOM 0 HA3 GLY A 101 -13.417 1.193 -13.347 1.00 71.44 H new ATOM 1624 N ASN A 102 -13.197 1.457 -10.247 1.00 11.03 N ATOM 1625 CA ASN A 102 -13.906 1.625 -8.984 1.00 14.44 C ATOM 1626 C ASN A 102 -12.943 2.013 -7.866 1.00 63.10 C ATOM 1627 O ASN A 102 -11.967 1.309 -7.601 1.00 11.33 O ATOM 1628 CB ASN A 102 -14.643 0.337 -8.613 1.00 32.22 C ATOM 1629 CG ASN A 102 -16.146 0.464 -8.770 1.00 11.51 C ATOM 1630 OD1 ASN A 102 -16.633 1.289 -9.543 1.00 43.45 O ATOM 1631 ND2 ASN A 102 -16.889 -0.354 -8.034 1.00 54.03 N ATOM 0 H ASN A 102 -12.343 0.903 -10.181 1.00 11.03 H new ATOM 0 HA ASN A 102 -14.632 2.428 -9.109 1.00 14.44 H new ATOM 0 HB2 ASN A 102 -14.283 -0.478 -9.241 1.00 32.22 H new ATOM 0 HB3 ASN A 102 -14.409 0.072 -7.582 1.00 32.22 H new ATOM 0 HD21 ASN A 102 -17.906 -0.314 -8.096 1.00 54.03 H new ATOM 0 HD22 ASN A 102 -16.442 -1.023 -7.406 1.00 54.03 H new ATOM 1638 N LEU A 103 -13.223 3.136 -7.214 1.00 21.22 N ATOM 1639 CA LEU A 103 -12.382 3.618 -6.124 1.00 23.43 C ATOM 1640 C LEU A 103 -12.995 3.274 -4.770 1.00 11.30 C ATOM 1641 O LEU A 103 -14.135 3.642 -4.482 1.00 30.43 O ATOM 1642 CB LEU A 103 -12.182 5.130 -6.237 1.00 73.03 C ATOM 1643 CG LEU A 103 -10.754 5.599 -6.518 1.00 13.53 C ATOM 1644 CD1 LEU A 103 -9.881 5.418 -5.286 1.00 12.13 C ATOM 1645 CD2 LEU A 103 -10.169 4.847 -7.704 1.00 1.40 C ATOM 0 H LEU A 103 -14.026 3.730 -7.421 1.00 21.22 H new ATOM 0 HA LEU A 103 -11.414 3.124 -6.200 1.00 23.43 H new ATOM 0 HB2 LEU A 103 -12.829 5.503 -7.031 1.00 73.03 H new ATOM 0 HB3 LEU A 103 -12.518 5.591 -5.308 1.00 73.03 H new ATOM 0 HG LEU A 103 -10.782 6.660 -6.765 1.00 13.53 H new ATOM 0 HD11 LEU A 103 -8.868 5.757 -5.505 1.00 12.13 H new ATOM 0 HD12 LEU A 103 -10.289 6.003 -4.462 1.00 12.13 H new ATOM 0 HD13 LEU A 103 -9.859 4.364 -5.007 1.00 12.13 H new ATOM 0 HD21 LEU A 103 -9.152 5.194 -7.889 1.00 1.40 H new ATOM 0 HD22 LEU A 103 -10.154 3.779 -7.486 1.00 1.40 H new ATOM 0 HD23 LEU A 103 -10.781 5.028 -8.588 1.00 1.40 H new ATOM 1657 N LEU A 104 -12.232 2.570 -3.942 1.00 4.01 N ATOM 1658 CA LEU A 104 -12.699 2.179 -2.616 1.00 62.25 C ATOM 1659 C LEU A 104 -12.381 3.258 -1.586 1.00 64.15 C ATOM 1660 O LEU A 104 -13.123 3.449 -0.624 1.00 53.31 O ATOM 1661 CB LEU A 104 -12.058 0.854 -2.199 1.00 10.13 C ATOM 1662 CG LEU A 104 -12.910 -0.053 -1.310 1.00 51.21 C ATOM 1663 CD1 LEU A 104 -13.200 0.624 0.021 1.00 70.52 C ATOM 1664 CD2 LEU A 104 -14.206 -0.425 -2.015 1.00 54.20 C ATOM 0 H LEU A 104 -11.287 2.258 -4.165 1.00 4.01 H new ATOM 0 HA LEU A 104 -13.781 2.054 -2.661 1.00 62.25 H new ATOM 0 HB2 LEU A 104 -11.794 0.301 -3.101 1.00 10.13 H new ATOM 0 HB3 LEU A 104 -11.127 1.072 -1.675 1.00 10.13 H new ATOM 0 HG LEU A 104 -12.351 -0.968 -1.114 1.00 51.21 H new ATOM 0 HD11 LEU A 104 -13.807 -0.036 0.640 1.00 70.52 H new ATOM 0 HD12 LEU A 104 -12.261 0.839 0.532 1.00 70.52 H new ATOM 0 HD13 LEU A 104 -13.739 1.555 -0.154 1.00 70.52 H new ATOM 0 HD21 LEU A 104 -14.800 -1.071 -1.368 1.00 54.20 H new ATOM 0 HD22 LEU A 104 -14.770 0.480 -2.241 1.00 54.20 H new ATOM 0 HD23 LEU A 104 -13.978 -0.951 -2.942 1.00 54.20 H new ATOM 1676 N MET A 105 -11.273 3.962 -1.797 1.00 70.52 N ATOM 1677 CA MET A 105 -10.859 5.024 -0.888 1.00 43.24 C ATOM 1678 C MET A 105 -9.917 6.000 -1.587 1.00 11.24 C ATOM 1679 O MET A 105 -9.014 5.591 -2.315 1.00 61.20 O ATOM 1680 CB MET A 105 -10.175 4.432 0.345 1.00 21.32 C ATOM 1681 CG MET A 105 -9.260 5.411 1.062 1.00 10.32 C ATOM 1682 SD MET A 105 -9.248 5.170 2.849 1.00 13.41 S ATOM 1683 CE MET A 105 -7.815 4.113 3.039 1.00 74.53 C ATOM 0 H MET A 105 -10.647 3.816 -2.589 1.00 70.52 H new ATOM 0 HA MET A 105 -11.750 5.567 -0.574 1.00 43.24 H new ATOM 0 HB2 MET A 105 -10.938 4.084 1.041 1.00 21.32 H new ATOM 0 HB3 MET A 105 -9.595 3.559 0.045 1.00 21.32 H new ATOM 0 HG2 MET A 105 -8.246 5.302 0.678 1.00 10.32 H new ATOM 0 HG3 MET A 105 -9.578 6.429 0.839 1.00 10.32 H new ATOM 0 HE1 MET A 105 -7.483 4.133 4.077 1.00 74.53 H new ATOM 0 HE2 MET A 105 -8.077 3.092 2.761 1.00 74.53 H new ATOM 0 HE3 MET A 105 -7.012 4.470 2.395 1.00 74.53 H new ATOM 1693 N GLU A 106 -10.135 7.292 -1.359 1.00 73.31 N ATOM 1694 CA GLU A 106 -9.306 8.325 -1.968 1.00 62.21 C ATOM 1695 C GLU A 106 -8.852 9.343 -0.926 1.00 32.11 C ATOM 1696 O GLU A 106 -9.636 10.181 -0.479 1.00 33.22 O ATOM 1697 CB GLU A 106 -10.073 9.032 -3.088 1.00 22.34 C ATOM 1698 CG GLU A 106 -9.274 9.182 -4.372 1.00 35.13 C ATOM 1699 CD GLU A 106 -10.158 9.272 -5.601 1.00 0.43 C ATOM 1700 OE1 GLU A 106 -11.395 9.327 -5.440 1.00 71.11 O ATOM 1701 OE2 GLU A 106 -9.611 9.289 -6.724 1.00 34.14 O ATOM 0 H GLU A 106 -10.878 7.647 -0.757 1.00 73.31 H new ATOM 0 HA GLU A 106 -8.423 7.844 -2.390 1.00 62.21 H new ATOM 0 HB2 GLU A 106 -10.985 8.474 -3.301 1.00 22.34 H new ATOM 0 HB3 GLU A 106 -10.377 10.020 -2.742 1.00 22.34 H new ATOM 0 HG2 GLU A 106 -8.655 10.077 -4.308 1.00 35.13 H new ATOM 0 HG3 GLU A 106 -8.598 8.333 -4.476 1.00 35.13 H new ATOM 1708 N CYS A 107 -7.583 9.263 -0.544 1.00 4.45 N ATOM 1709 CA CYS A 107 -7.024 10.177 0.447 1.00 22.52 C ATOM 1710 C CYS A 107 -5.520 10.338 0.251 1.00 61.31 C ATOM 1711 O CYS A 107 -4.927 9.709 -0.625 1.00 1.03 O ATOM 1712 CB CYS A 107 -7.314 9.669 1.860 1.00 34.13 C ATOM 1713 SG CYS A 107 -8.901 10.220 2.531 1.00 62.42 S ATOM 0 H CYS A 107 -6.921 8.575 -0.905 1.00 4.45 H new ATOM 0 HA CYS A 107 -7.496 11.151 0.314 1.00 22.52 H new ATOM 0 HB2 CYS A 107 -7.293 8.579 1.854 1.00 34.13 H new ATOM 0 HB3 CYS A 107 -6.516 10.000 2.525 1.00 34.13 H new ATOM 0 HG CYS A 107 -9.732 10.438 1.556 1.00 62.42 H new ATOM 1719 N GLY A 108 -4.909 11.187 1.072 1.00 64.43 N ATOM 1720 CA GLY A 108 -3.479 11.417 0.971 1.00 73.12 C ATOM 1721 C GLY A 108 -3.118 12.317 -0.194 1.00 61.01 C ATOM 1722 O GLY A 108 -3.980 12.691 -0.989 1.00 2.23 O ATOM 0 H GLY A 108 -5.378 11.719 1.805 1.00 64.43 H new ATOM 0 HA2 GLY A 108 -3.120 11.865 1.897 1.00 73.12 H new ATOM 0 HA3 GLY A 108 -2.967 10.461 0.860 1.00 73.12 H new ATOM 1726 N ALA A 109 -1.840 12.667 -0.295 1.00 63.22 N ATOM 1727 CA ALA A 109 -1.366 13.528 -1.371 1.00 54.34 C ATOM 1728 C ALA A 109 -0.469 12.760 -2.335 1.00 63.13 C ATOM 1729 O ALA A 109 0.080 11.708 -2.006 1.00 0.12 O ATOM 1730 CB ALA A 109 -0.625 14.728 -0.800 1.00 15.11 C ATOM 0 H ALA A 109 -1.114 12.367 0.356 1.00 63.22 H new ATOM 0 HA ALA A 109 -2.234 13.882 -1.928 1.00 54.34 H new ATOM 0 HB1 ALA A 109 -0.277 15.362 -1.615 1.00 15.11 H new ATOM 0 HB2 ALA A 109 -1.296 15.298 -0.158 1.00 15.11 H new ATOM 0 HB3 ALA A 109 0.230 14.384 -0.217 1.00 15.11 H new ATOM 1736 N PRO A 110 -0.315 13.295 -3.556 1.00 24.24 N ATOM 1737 CA PRO A 110 0.516 12.675 -4.592 1.00 50.04 C ATOM 1738 C PRO A 110 2.003 12.749 -4.265 1.00 4.12 C ATOM 1739 O PRO A 110 2.579 13.835 -4.192 1.00 21.12 O ATOM 1740 CB PRO A 110 0.202 13.503 -5.841 1.00 15.12 C ATOM 1741 CG PRO A 110 -0.237 14.827 -5.317 1.00 23.02 C ATOM 1742 CD PRO A 110 -0.939 14.546 -4.017 1.00 42.11 C ATOM 0 HA PRO A 110 0.302 11.612 -4.703 1.00 50.04 H new ATOM 0 HB2 PRO A 110 1.079 13.601 -6.481 1.00 15.12 H new ATOM 0 HB3 PRO A 110 -0.579 13.035 -6.440 1.00 15.12 H new ATOM 0 HG2 PRO A 110 0.616 15.489 -5.165 1.00 23.02 H new ATOM 0 HG3 PRO A 110 -0.904 15.324 -6.021 1.00 23.02 H new ATOM 0 HD2 PRO A 110 -0.796 15.354 -3.300 1.00 42.11 H new ATOM 0 HD3 PRO A 110 -2.014 14.431 -4.157 1.00 42.11 H new ATOM 1750 N ARG A 111 2.620 11.588 -4.069 1.00 10.32 N ATOM 1751 CA ARG A 111 4.041 11.522 -3.748 1.00 53.32 C ATOM 1752 C ARG A 111 4.889 11.902 -4.958 1.00 43.41 C ATOM 1753 O ARG A 111 4.459 11.754 -6.102 1.00 21.21 O ATOM 1754 CB ARG A 111 4.413 10.117 -3.272 1.00 1.22 C ATOM 1755 CG ARG A 111 4.054 9.852 -1.819 1.00 21.41 C ATOM 1756 CD ARG A 111 5.283 9.896 -0.924 1.00 60.13 C ATOM 1757 NE ARG A 111 6.103 11.077 -1.179 1.00 65.24 N ATOM 1758 CZ ARG A 111 7.370 11.188 -0.796 1.00 44.32 C ATOM 1759 NH1 ARG A 111 7.959 10.195 -0.144 1.00 41.14 N ATOM 1760 NH2 ARG A 111 8.051 12.295 -1.065 1.00 64.14 N ATOM 0 H ARG A 111 2.158 10.680 -4.127 1.00 10.32 H new ATOM 0 HA ARG A 111 4.241 12.234 -2.947 1.00 53.32 H new ATOM 0 HB2 ARG A 111 3.909 9.384 -3.902 1.00 1.22 H new ATOM 0 HB3 ARG A 111 5.485 9.969 -3.406 1.00 1.22 H new ATOM 0 HG2 ARG A 111 3.330 10.593 -1.481 1.00 21.41 H new ATOM 0 HG3 ARG A 111 3.575 8.877 -1.734 1.00 21.41 H new ATOM 0 HD2 ARG A 111 4.971 9.890 0.120 1.00 60.13 H new ATOM 0 HD3 ARG A 111 5.880 8.998 -1.084 1.00 60.13 H new ATOM 0 HE ARG A 111 5.680 11.859 -1.678 1.00 65.24 H new ATOM 0 HH11 ARG A 111 7.439 9.343 0.065 1.00 41.14 H new ATOM 0 HH12 ARG A 111 8.932 10.283 0.149 1.00 41.14 H new ATOM 0 HH21 ARG A 111 7.601 13.061 -1.566 1.00 64.14 H new ATOM 0 HH22 ARG A 111 9.024 12.379 -0.771 1.00 64.14 H new ATOM 1774 N SER A 112 6.096 12.394 -4.697 1.00 64.21 N ATOM 1775 CA SER A 112 7.004 12.799 -5.764 1.00 52.31 C ATOM 1776 C SER A 112 8.458 12.656 -5.325 1.00 33.34 C ATOM 1777 O SER A 112 8.739 12.310 -4.177 1.00 55.14 O ATOM 1778 CB SER A 112 6.725 14.246 -6.178 1.00 35.44 C ATOM 1779 OG SER A 112 6.664 15.097 -5.046 1.00 70.24 O ATOM 0 H SER A 112 6.468 12.522 -3.756 1.00 64.21 H new ATOM 0 HA SER A 112 6.835 12.144 -6.619 1.00 52.31 H new ATOM 0 HB2 SER A 112 7.507 14.591 -6.855 1.00 35.44 H new ATOM 0 HB3 SER A 112 5.784 14.296 -6.726 1.00 35.44 H new ATOM 0 HG SER A 112 6.487 16.016 -5.337 1.00 70.24 H new ATOM 1785 N GLN A 113 9.377 12.924 -6.246 1.00 61.13 N ATOM 1786 CA GLN A 113 10.802 12.824 -5.955 1.00 22.14 C ATOM 1787 C GLN A 113 11.450 14.204 -5.924 1.00 14.53 C ATOM 1788 O GLN A 113 12.082 14.583 -4.938 1.00 71.34 O ATOM 1789 CB GLN A 113 11.497 11.945 -6.996 1.00 70.00 C ATOM 1790 CG GLN A 113 12.316 10.817 -6.391 1.00 24.33 C ATOM 1791 CD GLN A 113 13.003 9.966 -7.441 1.00 23.13 C ATOM 1792 OE1 GLN A 113 12.645 8.806 -7.648 1.00 44.21 O ATOM 1793 NE2 GLN A 113 13.996 10.539 -8.110 1.00 45.14 N ATOM 0 H GLN A 113 9.161 13.212 -7.200 1.00 61.13 H new ATOM 0 HA GLN A 113 10.914 12.368 -4.971 1.00 22.14 H new ATOM 0 HB2 GLN A 113 10.745 11.520 -7.661 1.00 70.00 H new ATOM 0 HB3 GLN A 113 12.149 12.568 -7.608 1.00 70.00 H new ATOM 0 HG2 GLN A 113 13.066 11.237 -5.721 1.00 24.33 H new ATOM 0 HG3 GLN A 113 11.666 10.185 -5.785 1.00 24.33 H new ATOM 0 HE21 GLN A 113 14.259 11.503 -7.906 1.00 45.14 H new ATOM 0 HE22 GLN A 113 14.496 10.015 -8.829 1.00 45.14 H new ATOM 1802 N GLY A 114 11.288 14.953 -7.010 1.00 55.43 N ATOM 1803 CA GLY A 114 11.863 16.284 -7.087 1.00 35.30 C ATOM 1804 C GLY A 114 13.363 16.255 -7.299 1.00 41.31 C ATOM 1805 O GLY A 114 14.095 17.046 -6.704 1.00 52.02 O ATOM 0 H GLY A 114 10.769 14.662 -7.838 1.00 55.43 H new ATOM 0 HA2 GLY A 114 11.394 16.832 -7.904 1.00 35.30 H new ATOM 0 HA3 GLY A 114 11.639 16.827 -6.169 1.00 35.30 H new ATOM 1809 N GLN A 115 13.822 15.341 -8.148 1.00 1.14 N ATOM 1810 CA GLN A 115 15.246 15.212 -8.434 1.00 70.01 C ATOM 1811 C GLN A 115 15.485 15.017 -9.928 1.00 3.33 C ATOM 1812 O GLN A 115 14.544 15.009 -10.721 1.00 70.21 O ATOM 1813 CB GLN A 115 15.840 14.039 -7.653 1.00 65.31 C ATOM 1814 CG GLN A 115 16.872 14.457 -6.618 1.00 0.31 C ATOM 1815 CD GLN A 115 18.244 14.688 -7.221 1.00 34.01 C ATOM 1816 OE1 GLN A 115 18.976 13.740 -7.508 1.00 13.32 O ATOM 1817 NE2 GLN A 115 18.599 15.952 -7.417 1.00 5.20 N ATOM 0 H GLN A 115 13.229 14.680 -8.649 1.00 1.14 H new ATOM 0 HA GLN A 115 15.739 16.133 -8.123 1.00 70.01 H new ATOM 0 HB2 GLN A 115 15.034 13.501 -7.154 1.00 65.31 H new ATOM 0 HB3 GLN A 115 16.302 13.343 -8.354 1.00 65.31 H new ATOM 0 HG2 GLN A 115 16.538 15.370 -6.125 1.00 0.31 H new ATOM 0 HG3 GLN A 115 16.942 13.687 -5.849 1.00 0.31 H new ATOM 0 HE21 GLN A 115 17.960 16.706 -7.164 1.00 5.20 H new ATOM 0 HE22 GLN A 115 19.510 16.169 -7.820 1.00 5.20 H new ATOM 1826 N ARG A 116 16.750 14.862 -10.304 1.00 24.42 N ATOM 1827 CA ARG A 116 17.113 14.669 -11.703 1.00 24.34 C ATOM 1828 C ARG A 116 17.561 13.232 -11.955 1.00 75.20 C ATOM 1829 O ARG A 116 18.510 12.749 -11.337 1.00 51.34 O ATOM 1830 CB ARG A 116 18.228 15.638 -12.101 1.00 14.31 C ATOM 1831 CG ARG A 116 17.934 16.413 -13.375 1.00 62.24 C ATOM 1832 CD ARG A 116 17.653 17.879 -13.084 1.00 75.52 C ATOM 1833 NE ARG A 116 16.251 18.110 -12.747 1.00 34.02 N ATOM 1834 CZ ARG A 116 15.265 18.076 -13.637 1.00 22.00 C ATOM 1835 NH1 ARG A 116 15.527 17.821 -14.911 1.00 61.14 N ATOM 1836 NH2 ARG A 116 14.014 18.297 -13.253 1.00 25.13 N ATOM 0 H ARG A 116 17.541 14.866 -9.660 1.00 24.42 H new ATOM 0 HA ARG A 116 16.231 14.869 -12.312 1.00 24.34 H new ATOM 0 HB2 ARG A 116 18.393 16.343 -11.286 1.00 14.31 H new ATOM 0 HB3 ARG A 116 19.155 15.079 -12.231 1.00 14.31 H new ATOM 0 HG2 ARG A 116 18.782 16.332 -14.055 1.00 62.24 H new ATOM 0 HG3 ARG A 116 17.076 15.971 -13.881 1.00 62.24 H new ATOM 0 HD2 ARG A 116 18.284 18.213 -12.260 1.00 75.52 H new ATOM 0 HD3 ARG A 116 17.921 18.479 -13.954 1.00 75.52 H new ATOM 0 HE ARG A 116 16.016 18.308 -11.775 1.00 34.02 H new ATOM 0 HH11 ARG A 116 16.487 17.650 -15.210 1.00 61.14 H new ATOM 0 HH12 ARG A 116 14.768 17.795 -15.592 1.00 61.14 H new ATOM 0 HH21 ARG A 116 13.808 18.493 -12.273 1.00 25.13 H new ATOM 0 HH22 ARG A 116 13.258 18.271 -13.937 1.00 25.13 H new TER 1850 ARG A 116